1-azido-2-methylpropane;benzyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-benzyl-N-(2-methylpropyl)methanesulfonamide;2,2-dimethylpropyl-methylidene-(2-methylpropyl)-λ4-sulfane;ethane;ethyl-methylidene-(2-methylpropyl)-λ4-sulfane;furan-2-ylmethyl-methylidene-(2-methylpropyl)-λ4-sulfane;2-methylbutane;methyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-methyl-N-(2-methylpropyl)cyclopropanesulfonamide;N-methyl-N-(2-methylpropyl)methanesulfonamide;N-methyl-N-(2-methylpropyl)-1-phenylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-2-ylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-3-ylmethanesulfonamide;2-methyl-2-(2-methylpropylsulfonyl)butane;1-methyl-1-(2-methylpropylsulfonyl)cyclopentane;3-methyl-1-phenylbutan-1-one;3-methyl-1-phenylbutan-2-one;2-methylpropanal;2-methylpropan-1-amine;2-methyl-1-propan-2-ylsulfonylpropane;N-(2-methylpropyl)cyclopropanesulfonamide;N-(2-methylpropyl)methanesulfonamide;N-(2-methylpropyl)-1-phenylmethanesulfonamide;2-(2-methylpropyl)-3H-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;2-(2-methylpropyl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide

C214H394N18O32S20 — CID 159896685

IUPAC1-azido-2-methylpropane;benzyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-benzyl-N-(2-methylpropyl)methanesulfonamide;2,2-dimethylpropyl-methylidene-(2-methylpropyl)-λ4-sulfane;ethane;ethyl-methylidene-(2-methylpropyl)-λ4-sulfane;furan-2-ylmethyl-methylidene-(2-methylpropyl)-λ4-sulfane;2-methylbutane;methyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-methyl-N-(2-methylpropyl)cyclopropanesulfonamide;N-methyl-N-(2-methylpropyl)methanesulfonamide;N-methyl-N-(2-methylpropyl)-1-phenylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-2-ylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-3-ylmethanesulfonamide;2-methyl-2-(2-methylpropylsulfonyl)butane;1-methyl-1-(2-methylpropylsulfonyl)cyclopentane;3-methyl-1-phenylbutan-1-one;3-methyl-1-phenylbutan-2-one;2-methylpropanal;2-methylpropan-1-amine;2-methyl-1-propan-2-ylsulfonylpropane;N-(2-methylpropyl)cyclopropanesulfonamide;N-(2-methylpropyl)methanesulfonamide;N-(2-methylpropyl)-1-phenylmethanesulfonamide;2-(2-methylpropyl)-3H-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;2-(2-methylpropyl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESC=S(C)CC(C)C.C=S(CC(C)C)CC(C)(C)C.C=S(CC)CC(C)C.C=S(Cc1ccccc1)CC(C)C.C=S(Cc1ccco1)CC(C)C.CC.CC(C)C(=O)Cc1ccccc1.CC(C)C=O.CC(C)CC(=O)c1ccccc1.CC(C)CN.CC(C)CN(C)S(=O)(=O)C1CC1.CC(C)CN(C)S(=O)(=O)Cc1ccccc1.CC(C)CN(C)S(=O)(=O)Cc1ccccn1.CC(C)CN(C)S(=O)(=O)Cc1cccnc1.CC(C)CN(C)S(C)(=O)=O.CC(C)CN(Cc1ccccc1)S(C)(=O)=O.CC(C)CN1Cc2ncccc2S1(=O)=O.CC(C)CN1Cc2sccc2S1(=O)=O.CC(C)CN=[N+]=[N-].CC(C)CNS(=O)(=O)C1CC1.CC(C)CNS(=O)(=O)Cc1ccccc1.CC(C)CNS(C)(=O)=O.CC(C)CS(=O)(=O)C(C)C.CC(C)CS(=O)(=O)C1(C)CCCC1.CCC(C)(C)S(=O)(=O)CC(C)C.CCC(C)C
InChIInChI=1S/2C12H19NO2S.C12H18S.2C11H18N2O2S.C11H17NO2S.2C11H14O.C10H14N2O2S.C10H20O2S.C10H16OS.C10H22S.C9H13NO2S2.C9H20O2S.C8H17NO2S.C7H15NO2S.C7H16O2S.C7H16S.C6H15NO2S.C6H14S.C5H13NO2S.C5H12.C4H9N3.C4H11N.C4H8O.C2H6/c1-11(2)9-13(16(3,14)15)10-12-7-5-4-6-8-12;1-11(2)9-13(3)16(14,15)10-12-7-5-4-6-8-12;1-11(2)9-13(3)10-12-7-5-4-6-8-12;1-10(2)8-13(3)16(14,15)9-11-5-4-6-12-7-11;1-10(2)8-13(3)16(14,15)9-11-6-4-5-7-12-11;1-10(2)8-12-15(13,14)9-11-6-4-3-5-7-11;1-9(2)11(12)8-10-6-4-3-5-7-10;1-9(2)8-11(12)10-6-4-3-5-7-10;1-8(2)6-12-7-9-10(15(12,13)14)4-3-5-11-9;1-9(2)8-13(11,12)10(3)6-4-5-7-10;1-9(2)7-12(3)8-10-5-4-6-11-10;1-9(2)7-11(6)8-10(3,4)5;1-7(2)5-10-6-8-9(3-4-13-8)14(10,11)12;1-6-9(4,5)12(10,11)7-8(2)3;1-7(2)6-9(3)12(10,11)8-4-5-8;1-6(2)5-8-11(9,10)7-3-4-7;1-6(2)5-10(8,9)7(3)4;1-5-8(4)6-7(2)3;1-6(2)5-7(3)10(4,8)9;1-6(2)5-7(3)4;1-5(2)4-6-9(3,7)8;1-4-5(2)3;1-4(2)3-6-7-5;2*1-4(2)3-5;1-2/h2*4-8,11H,9-10H2,1-3H3;4-8,11H,3,9-10H2,1-2H3;2*4-7,10H,8-9H2,1-3H3;3-7,10,12H,8-9H2,1-2H3;2*3-7,9H,8H2,1-2H3;3-5,8H,6-7H2,1-2H3;9H,4-8H2,1-3H3;4-6,9H,3,7-8H2,1-2H3;9H,6-8H2,1-5H3;3-4,7H,5-6H2,1-2H3;8H,6-7H2,1-5H3;7-8H,4-6H2,1-3H3;6-8H,3-5H2,1-2H3;6-7H,5H2,1-4H3;7H,4-6H2,1-3H3;6H,5H2,1-4H3;6H,3,5H2,1-2,4H3;5-6H,4H2,1-3H3;5H,4H2,1-3H3;4H,3H2,1-2H3;4H,3,5H2,1-2H3;3-4H,1-2H3;1-2H3
InChIKeyNVKWFFOGZOXIOE-UHFFFAOYSA-N
MW4372.94 g/mol
LogP46.99
Rot. Bonds80

About 1-azido-2-methylpropane;benzyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-benzyl-N-(2-methylpropyl)methanesulfonamide;2,2-dimethylpropyl-methylidene-(2-methylpropyl)-λ4-sulfane;ethane;ethyl-methylidene-(2-methylpropyl)-λ4-sulfane;furan-2-ylmethyl-methylidene-(2-methylpropyl)-λ4-sulfane;2-methylbutane;methyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-methyl-N-(2-methylpropyl)cyclopropanesulfonamide;N-methyl-N-(2-methylpropyl)methanesulfonamide;N-methyl-N-(2-methylpropyl)-1-phenylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-2-ylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-3-ylmethanesulfonamide;2-methyl-2-(2-methylpropylsulfonyl)butane;1-methyl-1-(2-methylpropylsulfonyl)cyclopentane;3-methyl-1-phenylbutan-1-one;3-methyl-1-phenylbutan-2-one;2-methylpropanal;2-methylpropan-1-amine;2-methyl-1-propan-2-ylsulfonylpropane;N-(2-methylpropyl)cyclopropanesulfonamide;N-(2-methylpropyl)methanesulfonamide;N-(2-methylpropyl)-1-phenylmethanesulfonamide;2-(2-methylpropyl)-3H-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;2-(2-methylpropyl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide

1-azido-2-methylpropane;benzyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-benzyl-N-(2-methylpropyl)methanesulfonamide;2,2-dimethylpropyl-methylidene-(2-methylpropyl)-λ4-sulfane;ethane;ethyl-methylidene-(2-methylpropyl)-λ4-sulfane;furan-2-ylmethyl-methylidene-(2-methylpropyl)-λ4-sulfane;2-methylbutane;methyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-methyl-N-(2-methylpropyl)cyclopropanesulfonamide;N-methyl-N-(2-methylpropyl)methanesulfonamide;N-methyl-N-(2-methylpropyl)-1-phenylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-2-ylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-3-ylmethanesulfonamide;2-methyl-2-(2-methylpropylsulfonyl)butane;1-methyl-1-(2-methylpropylsulfonyl)cyclopentane;3-methyl-1-phenylbutan-1-one;3-methyl-1-phenylbutan-2-one;2-methylpropanal;2-methylpropan-1-amine;2-methyl-1-propan-2-ylsulfonylpropane;N-(2-methylpropyl)cyclopropanesulfonamide;N-(2-methylpropyl)methanesulfonamide;N-(2-methylpropyl)-1-phenylmethanesulfonamide;2-(2-methylpropyl)-3H-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;2-(2-methylpropyl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide (PubChem CID 159896685) has the molecular formula C214H394N18O32S20 and a molecular weight of 4372.94 g/mol. Its IUPAC name is 1-azido-2-methylpropane;benzyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-benzyl-N-(2-methylpropyl)methanesulfonamide;2,2-dimethylpropyl-methylidene-(2-methylpropyl)-λ4-sulfane;ethane;ethyl-methylidene-(2-methylpropyl)-λ4-sulfane;furan-2-ylmethyl-methylidene-(2-methylpropyl)-λ4-sulfane;2-methylbutane;methyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-methyl-N-(2-methylpropyl)cyclopropanesulfonamide;N-methyl-N-(2-methylpropyl)methanesulfonamide;N-methyl-N-(2-methylpropyl)-1-phenylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-2-ylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-3-ylmethanesulfonamide;2-methyl-2-(2-methylpropylsulfonyl)butane;1-methyl-1-(2-methylpropylsulfonyl)cyclopentane;3-methyl-1-phenylbutan-1-one;3-methyl-1-phenylbutan-2-one;2-methylpropanal;2-methylpropan-1-amine;2-methyl-1-propan-2-ylsulfonylpropane;N-(2-methylpropyl)cyclopropanesulfonamide;N-(2-methylpropyl)methanesulfonamide;N-(2-methylpropyl)-1-phenylmethanesulfonamide;2-(2-methylpropyl)-3H-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;2-(2-methylpropyl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide.

Molecular Properties

Compound Name1-azido-2-methylpropane;benzyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-benzyl-N-(2-methylpropyl)methanesulfonamide;2,2-dimethylpropyl-methylidene-(2-methylpropyl)-λ4-sulfane;ethane;ethyl-methylidene-(2-methylpropyl)-λ4-sulfane;furan-2-ylmethyl-methylidene-(2-methylpropyl)-λ4-sulfane;2-methylbutane;methyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-methyl-N-(2-methylpropyl)cyclopropanesulfonamide;N-methyl-N-(2-methylpropyl)methanesulfonamide;N-methyl-N-(2-methylpropyl)-1-phenylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-2-ylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-3-ylmethanesulfonamide;2-methyl-2-(2-methylpropylsulfonyl)butane;1-methyl-1-(2-methylpropylsulfonyl)cyclopentane;3-methyl-1-phenylbutan-1-one;3-methyl-1-phenylbutan-2-one;2-methylpropanal;2-methylpropan-1-amine;2-methyl-1-propan-2-ylsulfonylpropane;N-(2-methylpropyl)cyclopropanesulfonamide;N-(2-methylpropyl)methanesulfonamide;N-(2-methylpropyl)-1-phenylmethanesulfonamide;2-(2-methylpropyl)-3H-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;2-(2-methylpropyl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide
PubChem CID159896685
Molecular FormulaC214H394N18O32S20
Molecular Weight4372.94 g/mol
Exact Mass4368.42
IUPAC Name1-azido-2-methylpropane;benzyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-benzyl-N-(2-methylpropyl)methanesulfonamide;2,2-dimethylpropyl-methylidene-(2-methylpropyl)-λ4-sulfane;ethane;ethyl-methylidene-(2-methylpropyl)-λ4-sulfane;furan-2-ylmethyl-methylidene-(2-methylpropyl)-λ4-sulfane;2-methylbutane;methyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-methyl-N-(2-methylpropyl)cyclopropanesulfonamide;N-methyl-N-(2-methylpropyl)methanesulfonamide;N-methyl-N-(2-methylpropyl)-1-phenylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-2-ylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-3-ylmethanesulfonamide;2-methyl-2-(2-methylpropylsulfonyl)butane;1-methyl-1-(2-methylpropylsulfonyl)cyclopentane;3-methyl-1-phenylbutan-1-one;3-methyl-1-phenylbutan-2-one;2-methylpropanal;2-methylpropan-1-amine;2-methyl-1-propan-2-ylsulfonylpropane;N-(2-methylpropyl)cyclopropanesulfonamide;N-(2-methylpropyl)methanesulfonamide;N-(2-methylpropyl)-1-phenylmethanesulfonamide;2-(2-methylpropyl)-3H-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;2-(2-methylpropyl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide
SMILESC=S(C)CC(C)C.C=S(CC(C)C)CC(C)(C)C.C=S(CC)CC(C)C.C=S(Cc1ccccc1)CC(C)C.C=S(Cc1ccco1)CC(C)C.CC.CC(C)C(=O)Cc1ccccc1.CC(C)C=O.CC(C)CC(=O)c1ccccc1.CC(C)CN.CC(C)CN(C)S(=O)(=O)C1CC1.CC(C)CN(C)S(=O)(=O)Cc1ccccc1.CC(C)CN(C)S(=O)(=O)Cc1ccccn1.CC(C)CN(C)S(=O)(=O)Cc1cccnc1.CC(C)CN(C)S(C)(=O)=O.CC(C)CN(Cc1ccccc1)S(C)(=O)=O.CC(C)CN1Cc2ncccc2S1(=O)=O.CC(C)CN1Cc2sccc2S1(=O)=O.CC(C)CN=[N+]=[N-].CC(C)CNS(=O)(=O)C1CC1.CC(C)CNS(=O)(=O)Cc1ccccc1.CC(C)CNS(C)(=O)=O.CC(C)CS(=O)(=O)C(C)C.CC(C)CS(=O)(=O)C1(C)CCCC1.CCC(C)(C)S(=O)(=O)CC(C)C.CCC(C)C
InChIInChI=1S/2C12H19NO2S.C12H18S.2C11H18N2O2S.C11H17NO2S.2C11H14O.C10H14N2O2S.C10H20O2S.C10H16OS.C10H22S.C9H13NO2S2.C9H20O2S.C8H17NO2S.C7H15NO2S.C7H16O2S.C7H16S.C6H15NO2S.C6H14S.C5H13NO2S.C5H12.C4H9N3.C4H11N.C4H8O.C2H6/c1-11(2)9-13(16(3,14)15)10-12-7-5-4-6-8-12;1-11(2)9-13(3)16(14,15)10-12-7-5-4-6-8-12;1-11(2)9-13(3)10-12-7-5-4-6-8-12;1-10(2)8-13(3)16(14,15)9-11-5-4-6-12-7-11;1-10(2)8-13(3)16(14,15)9-11-6-4-5-7-12-11;1-10(2)8-12-15(13,14)9-11-6-4-3-5-7-11;1-9(2)11(12)8-10-6-4-3-5-7-10;1-9(2)8-11(12)10-6-4-3-5-7-10;1-8(2)6-12-7-9-10(15(12,13)14)4-3-5-11-9;1-9(2)8-13(11,12)10(3)6-4-5-7-10;1-9(2)7-12(3)8-10-5-4-6-11-10;1-9(2)7-11(6)8-10(3,4)5;1-7(2)5-10-6-8-9(3-4-13-8)14(10,11)12;1-6-9(4,5)12(10,11)7-8(2)3;1-7(2)6-9(3)12(10,11)8-4-5-8;1-6(2)5-8-11(9,10)7-3-4-7;1-6(2)5-10(8,9)7(3)4;1-5-8(4)6-7(2)3;1-6(2)5-7(3)10(4,8)9;1-6(2)5-7(3)4;1-5(2)4-6-9(3,7)8;1-4-5(2)3;1-4(2)3-6-7-5;2*1-4(2)3-5;1-2/h2*4-8,11H,9-10H2,1-3H3;4-8,11H,3,9-10H2,1-2H3;2*4-7,10H,8-9H2,1-3H3;3-7,10,12H,8-9H2,1-2H3;2*3-7,9H,8H2,1-2H3;3-5,8H,6-7H2,1-2H3;9H,4-8H2,1-3H3;4-6,9H,3,7-8H2,1-2H3;9H,6-8H2,1-5H3;3-4,7H,5-6H2,1-2H3;8H,6-7H2,1-5H3;7-8H,4-6H2,1-3H3;6-8H,3-5H2,1-2H3;6-7H,5H2,1-4H3;7H,4-6H2,1-3H3;6H,5H2,1-4H3;6H,3,5H2,1-2,4H3;5-6H,4H2,1-3H3;5H,4H2,1-3H3;4H,3H2,1-2H3;4H,3,5H2,1-2H3;3-4H,1-2H3;1-2H3
InChIKeyNVKWFFOGZOXIOE-UHFFFAOYSA-N
XLogP46.99
TPSA717.77 Ų
H-Bond Donors4
H-Bond Acceptors38
Rotatable Bonds80
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004372.94
LogP ≤ 546.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1038

Analyze 1-azido-2-methylpropane;benzyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-benzyl-N-(2-methylpropyl)methanesulfonamide;2,2-dimethylpropyl-methylidene-(2-methylpropyl)-λ4-sulfane;ethane;ethyl-methylidene-(2-methylpropyl)-λ4-sulfane;furan-2-ylmethyl-methylidene-(2-methylpropyl)-λ4-sulfane;2-methylbutane;methyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-methyl-N-(2-methylpropyl)cyclopropanesulfonamide;N-methyl-N-(2-methylpropyl)methanesulfonamide;N-methyl-N-(2-methylpropyl)-1-phenylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-2-ylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-3-ylmethanesulfonamide;2-methyl-2-(2-methylpropylsulfonyl)butane;1-methyl-1-(2-methylpropylsulfonyl)cyclopentane;3-methyl-1-phenylbutan-1-one;3-methyl-1-phenylbutan-2-one;2-methylpropanal;2-methylpropan-1-amine;2-methyl-1-propan-2-ylsulfonylpropane;N-(2-methylpropyl)cyclopropanesulfonamide;N-(2-methylpropyl)methanesulfonamide;N-(2-methylpropyl)-1-phenylmethanesulfonamide;2-(2-methylpropyl)-3H-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;2-(2-methylpropyl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-azido-2-methylpropane;benzyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-benzyl-N-(2-methylpropyl)methanesulfonamide;2,2-dimethylpropyl-methylidene-(2-methylpropyl)-λ4-sulfane;ethane;ethyl-methylidene-(2-methylpropyl)-λ4-sulfane;furan-2-ylmethyl-methylidene-(2-methylpropyl)-λ4-sulfane;2-methylbutane;methyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-methyl-N-(2-methylpropyl)cyclopropanesulfonamide;N-methyl-N-(2-methylpropyl)methanesulfonamide;N-methyl-N-(2-methylpropyl)-1-phenylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-2-ylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-3-ylmethanesulfonamide;2-methyl-2-(2-methylpropylsulfonyl)butane;1-methyl-1-(2-methylpropylsulfonyl)cyclopentane;3-methyl-1-phenylbutan-1-one;3-methyl-1-phenylbutan-2-one;2-methylpropanal;2-methylpropan-1-amine;2-methyl-1-propan-2-ylsulfonylpropane;N-(2-methylpropyl)cyclopropanesulfonamide;N-(2-methylpropyl)methanesulfonamide;N-(2-methylpropyl)-1-phenylmethanesulfonamide;2-(2-methylpropyl)-3H-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;2-(2-methylpropyl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The IUPAC name of 1-azido-2-methylpropane;benzyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-benzyl-N-(2-methylpropyl)methanesulfonamide;2,2-dimethylpropyl-methylidene-(2-methylpropyl)-λ4-sulfane;ethane;ethyl-methylidene-(2-methylpropyl)-λ4-sulfane;furan-2-ylmethyl-methylidene-(2-methylpropyl)-λ4-sulfane;2-methylbutane;methyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-methyl-N-(2-methylpropyl)cyclopropanesulfonamide;N-methyl-N-(2-methylpropyl)methanesulfonamide;N-methyl-N-(2-methylpropyl)-1-phenylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-2-ylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-3-ylmethanesulfonamide;2-methyl-2-(2-methylpropylsulfonyl)butane;1-methyl-1-(2-methylpropylsulfonyl)cyclopentane;3-methyl-1-phenylbutan-1-one;3-methyl-1-phenylbutan-2-one;2-methylpropanal;2-methylpropan-1-amine;2-methyl-1-propan-2-ylsulfonylpropane;N-(2-methylpropyl)cyclopropanesulfonamide;N-(2-methylpropyl)methanesulfonamide;N-(2-methylpropyl)-1-phenylmethanesulfonamide;2-(2-methylpropyl)-3H-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;2-(2-methylpropyl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide (CID 159896685) is 1-azido-2-methylpropane;benzyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-benzyl-N-(2-methylpropyl)methanesulfonamide;2,2-dimethylpropyl-methylidene-(2-methylpropyl)-λ4-sulfane;ethane;ethyl-methylidene-(2-methylpropyl)-λ4-sulfane;furan-2-ylmethyl-methylidene-(2-methylpropyl)-λ4-sulfane;2-methylbutane;methyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-methyl-N-(2-methylpropyl)cyclopropanesulfonamide;N-methyl-N-(2-methylpropyl)methanesulfonamide;N-methyl-N-(2-methylpropyl)-1-phenylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-2-ylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-3-ylmethanesulfonamide;2-methyl-2-(2-methylpropylsulfonyl)butane;1-methyl-1-(2-methylpropylsulfonyl)cyclopentane;3-methyl-1-phenylbutan-1-one;3-methyl-1-phenylbutan-2-one;2-methylpropanal;2-methylpropan-1-amine;2-methyl-1-propan-2-ylsulfonylpropane;N-(2-methylpropyl)cyclopropanesulfonamide;N-(2-methylpropyl)methanesulfonamide;N-(2-methylpropyl)-1-phenylmethanesulfonamide;2-(2-methylpropyl)-3H-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;2-(2-methylpropyl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide.
What is the SMILES notation for 1-azido-2-methylpropane;benzyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-benzyl-N-(2-methylpropyl)methanesulfonamide;2,2-dimethylpropyl-methylidene-(2-methylpropyl)-λ4-sulfane;ethane;ethyl-methylidene-(2-methylpropyl)-λ4-sulfane;furan-2-ylmethyl-methylidene-(2-methylpropyl)-λ4-sulfane;2-methylbutane;methyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-methyl-N-(2-methylpropyl)cyclopropanesulfonamide;N-methyl-N-(2-methylpropyl)methanesulfonamide;N-methyl-N-(2-methylpropyl)-1-phenylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-2-ylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-3-ylmethanesulfonamide;2-methyl-2-(2-methylpropylsulfonyl)butane;1-methyl-1-(2-methylpropylsulfonyl)cyclopentane;3-methyl-1-phenylbutan-1-one;3-methyl-1-phenylbutan-2-one;2-methylpropanal;2-methylpropan-1-amine;2-methyl-1-propan-2-ylsulfonylpropane;N-(2-methylpropyl)cyclopropanesulfonamide;N-(2-methylpropyl)methanesulfonamide;N-(2-methylpropyl)-1-phenylmethanesulfonamide;2-(2-methylpropyl)-3H-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;2-(2-methylpropyl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The canonical SMILES for 1-azido-2-methylpropane;benzyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-benzyl-N-(2-methylpropyl)methanesulfonamide;2,2-dimethylpropyl-methylidene-(2-methylpropyl)-λ4-sulfane;ethane;ethyl-methylidene-(2-methylpropyl)-λ4-sulfane;furan-2-ylmethyl-methylidene-(2-methylpropyl)-λ4-sulfane;2-methylbutane;methyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-methyl-N-(2-methylpropyl)cyclopropanesulfonamide;N-methyl-N-(2-methylpropyl)methanesulfonamide;N-methyl-N-(2-methylpropyl)-1-phenylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-2-ylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-3-ylmethanesulfonamide;2-methyl-2-(2-methylpropylsulfonyl)butane;1-methyl-1-(2-methylpropylsulfonyl)cyclopentane;3-methyl-1-phenylbutan-1-one;3-methyl-1-phenylbutan-2-one;2-methylpropanal;2-methylpropan-1-amine;2-methyl-1-propan-2-ylsulfonylpropane;N-(2-methylpropyl)cyclopropanesulfonamide;N-(2-methylpropyl)methanesulfonamide;N-(2-methylpropyl)-1-phenylmethanesulfonamide;2-(2-methylpropyl)-3H-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;2-(2-methylpropyl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide is C=S(C)CC(C)C.C=S(CC(C)C)CC(C)(C)C.C=S(CC)CC(C)C.C=S(Cc1ccccc1)CC(C)C.C=S(Cc1ccco1)CC(C)C.CC.CC(C)C(=O)Cc1ccccc1.CC(C)C=O.CC(C)CC(=O)c1ccccc1.CC(C)CN.CC(C)CN(C)S(=O)(=O)C1CC1.CC(C)CN(C)S(=O)(=O)Cc1ccccc1.CC(C)CN(C)S(=O)(=O)Cc1ccccn1.CC(C)CN(C)S(=O)(=O)Cc1cccnc1.CC(C)CN(C)S(C)(=O)=O.CC(C)CN(Cc1ccccc1)S(C)(=O)=O.CC(C)CN1Cc2ncccc2S1(=O)=O.CC(C)CN1Cc2sccc2S1(=O)=O.CC(C)CN=[N+]=[N-].CC(C)CNS(=O)(=O)C1CC1.CC(C)CNS(=O)(=O)Cc1ccccc1.CC(C)CNS(C)(=O)=O.CC(C)CS(=O)(=O)C(C)C.CC(C)CS(=O)(=O)C1(C)CCCC1.CCC(C)(C)S(=O)(=O)CC(C)C.CCC(C)C.
What is the InChIKey of 1-azido-2-methylpropane;benzyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-benzyl-N-(2-methylpropyl)methanesulfonamide;2,2-dimethylpropyl-methylidene-(2-methylpropyl)-λ4-sulfane;ethane;ethyl-methylidene-(2-methylpropyl)-λ4-sulfane;furan-2-ylmethyl-methylidene-(2-methylpropyl)-λ4-sulfane;2-methylbutane;methyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-methyl-N-(2-methylpropyl)cyclopropanesulfonamide;N-methyl-N-(2-methylpropyl)methanesulfonamide;N-methyl-N-(2-methylpropyl)-1-phenylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-2-ylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-3-ylmethanesulfonamide;2-methyl-2-(2-methylpropylsulfonyl)butane;1-methyl-1-(2-methylpropylsulfonyl)cyclopentane;3-methyl-1-phenylbutan-1-one;3-methyl-1-phenylbutan-2-one;2-methylpropanal;2-methylpropan-1-amine;2-methyl-1-propan-2-ylsulfonylpropane;N-(2-methylpropyl)cyclopropanesulfonamide;N-(2-methylpropyl)methanesulfonamide;N-(2-methylpropyl)-1-phenylmethanesulfonamide;2-(2-methylpropyl)-3H-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;2-(2-methylpropyl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide?
The InChIKey is NVKWFFOGZOXIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H19NO2S.C12H18S.2C11H18N2O2S.C11H17NO2S.2C11H14O.C10H14N2O2S.C10H20O2S.C10H16OS.C10H22S.C9H13NO2S2.C9H20O2S.C8H17NO2S.C7H15NO2S.C7H16O2S.C7H16S.C6H15NO2S.C6H14S.C5H13NO2S.C5H12.C4H9N3.C4H11N.C4H8O.C2H6/c1-11(2)9-13(16(3,14)15)10-12-7-5-4-6-8-12;1-11(2)9-13(3)16(14,15)10-12-7-5-4-6-8-12;1-11(2)9-13(3)10-12-7-5-4-6-8-12;1-10(2)8-13(3)16(14,15)9-11-5-4-6-12-7-11;1-10(2)8-13(3)16(14,15)9-11-6-4-5-7-12-11;1-10(2)8-12-15(13,14)9-11-6-4-3-5-7-11;1-9(2)11(12)8-10-6-4-3-5-7-10;1-9(2)8-11(12)10-6-4-3-5-7-10;1-8(2)6-12-7-9-10(15(12,13)14)4-3-5-11-9;1-9(2)8-13(11,12)10(3)6-4-5-7-10;1-9(2)7-12(3)8-10-5-4-6-11-10;1-9(2)7-11(6)8-10(3,4)5;1-7(2)5-10-6-8-9(3-4-13-8)14(10,11)12;1-6-9(4,5)12(10,11)7-8(2)3;1-7(2)6-9(3)12(10,11)8-4-5-8;1-6(2)5-8-11(9,10)7-3-4-7;1-6(2)5-10(8,9)7(3)4;1-5-8(4)6-7(2)3;1-6(2)5-7(3)10(4,8)9;1-6(2)5-7(3)4;1-5(2)4-6-9(3,7)8;1-4-5(2)3;1-4(2)3-6-7-5;2*1-4(2)3-5;1-2/h2*4-8,11H,9-10H2,1-3H3;4-8,11H,3,9-10H2,1-2H3;2*4-7,10H,8-9H2,1-3H3;3-7,10,12H,8-9H2,1-2H3;2*3-7,9H,8H2,1-2H3;3-5,8H,6-7H2,1-2H3;9H,4-8H2,1-3H3;4-6,9H,3,7-8H2,1-2H3;9H,6-8H2,1-5H3;3-4,7H,5-6H2,1-2H3;8H,6-7H2,1-5H3;7-8H,4-6H2,1-3H3;6-8H,3-5H2,1-2H3;6-7H,5H2,1-4H3;7H,4-6H2,1-3H3;6H,5H2,1-4H3;6H,3,5H2,1-2,4H3;5-6H,4H2,1-3H3;5H,4H2,1-3H3;4H,3H2,1-2H3;4H,3,5H2,1-2H3;3-4H,1-2H3;1-2H3.
What are the key properties of 1-azido-2-methylpropane;benzyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-benzyl-N-(2-methylpropyl)methanesulfonamide;2,2-dimethylpropyl-methylidene-(2-methylpropyl)-λ4-sulfane;ethane;ethyl-methylidene-(2-methylpropyl)-λ4-sulfane;furan-2-ylmethyl-methylidene-(2-methylpropyl)-λ4-sulfane;2-methylbutane;methyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-methyl-N-(2-methylpropyl)cyclopropanesulfonamide;N-methyl-N-(2-methylpropyl)methanesulfonamide;N-methyl-N-(2-methylpropyl)-1-phenylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-2-ylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-3-ylmethanesulfonamide;2-methyl-2-(2-methylpropylsulfonyl)butane;1-methyl-1-(2-methylpropylsulfonyl)cyclopentane;3-methyl-1-phenylbutan-1-one;3-methyl-1-phenylbutan-2-one;2-methylpropanal;2-methylpropan-1-amine;2-methyl-1-propan-2-ylsulfonylpropane;N-(2-methylpropyl)cyclopropanesulfonamide;N-(2-methylpropyl)methanesulfonamide;N-(2-methylpropyl)-1-phenylmethanesulfonamide;2-(2-methylpropyl)-3H-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;2-(2-methylpropyl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide?
1-azido-2-methylpropane;benzyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-benzyl-N-(2-methylpropyl)methanesulfonamide;2,2-dimethylpropyl-methylidene-(2-methylpropyl)-λ4-sulfane;ethane;ethyl-methylidene-(2-methylpropyl)-λ4-sulfane;furan-2-ylmethyl-methylidene-(2-methylpropyl)-λ4-sulfane;2-methylbutane;methyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-methyl-N-(2-methylpropyl)cyclopropanesulfonamide;N-methyl-N-(2-methylpropyl)methanesulfonamide;N-methyl-N-(2-methylpropyl)-1-phenylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-2-ylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-3-ylmethanesulfonamide;2-methyl-2-(2-methylpropylsulfonyl)butane;1-methyl-1-(2-methylpropylsulfonyl)cyclopentane;3-methyl-1-phenylbutan-1-one;3-methyl-1-phenylbutan-2-one;2-methylpropanal;2-methylpropan-1-amine;2-methyl-1-propan-2-ylsulfonylpropane;N-(2-methylpropyl)cyclopropanesulfonamide;N-(2-methylpropyl)methanesulfonamide;N-(2-methylpropyl)-1-phenylmethanesulfonamide;2-(2-methylpropyl)-3H-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;2-(2-methylpropyl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide has a molecular weight of 4372.94 g/mol, XLogP of 46.99, 80 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-methylpropane;benzyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-benzyl-N-(2-methylpropyl)methanesulfonamide;2,2-dimethylpropyl-methylidene-(2-methylpropyl)-λ4-sulfane;ethane;ethyl-methylidene-(2-methylpropyl)-λ4-sulfane;furan-2-ylmethyl-methylidene-(2-methylpropyl)-λ4-sulfane;2-methylbutane;methyl-methylidene-(2-methylpropyl)-λ4-sulfane;N-methyl-N-(2-methylpropyl)cyclopropanesulfonamide;N-methyl-N-(2-methylpropyl)methanesulfonamide;N-methyl-N-(2-methylpropyl)-1-phenylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-2-ylmethanesulfonamide;N-methyl-N-(2-methylpropyl)-1-pyridin-3-ylmethanesulfonamide;2-methyl-2-(2-methylpropylsulfonyl)butane;1-methyl-1-(2-methylpropylsulfonyl)cyclopentane;3-methyl-1-phenylbutan-1-one;3-methyl-1-phenylbutan-2-one;2-methylpropanal;2-methylpropan-1-amine;2-methyl-1-propan-2-ylsulfonylpropane;N-(2-methylpropyl)cyclopropanesulfonamide;N-(2-methylpropyl)methanesulfonamide;N-(2-methylpropyl)-1-phenylmethanesulfonamide;2-(2-methylpropyl)-3H-[1,2]thiazolo[4,5-b]pyridine 1,1-dioxide;2-(2-methylpropyl)-3H-thieno[2,3-d][1,2]thiazole 1,1-dioxide is sourced from PubChem (CID 159896685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).