N,N-diethylpropane-2-sulfonamide;N,N-dimethylpropane-2-sulfonamide;N,N-dimethyl-1-propan-2-ylpiperidine-4-sulfonamide;N-(2,2-dimethylpropyl)propane-2-sulfonamide;ethane;methane;methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate;N-methylpropane-2-sulfonamide;2-methylpropane-1-thiol;methyl 2-(propan-2-ylsulfonylamino)acetate;1-methyl-4-propan-2-ylsulfonylpiperazine;S-(2-methylpropyl) ethanethioate;1-methylsulfonyl-4-propan-2-ylpiperazine;4-methylsulfonyl-1-propan-2-ylpiperidine;N-(2-oxopropyl)propane-2-sulfonamide;propan-2-ylsulfonylmethylcyclopropane;1-propan-2-ylsulfonylpiperidine;1-propan-2-ylsulfonylpyrrolidine;bis(N-propylpropane-2-sulfonamide)

C133H308N18O38S18 — CID 157441609

About N,N-diethylpropane-2-sulfonamide;N,N-dimethylpropane-2-sulfonamide;N,N-dimethyl-1-propan-2-ylpiperidine-4-sulfonamide;N-(2,2-dimethylpropyl)propane-2-sulfonamide;ethane;methane;methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate;N-methylpropane-2-sulfonamide;2-methylpropane-1-thiol;methyl 2-(propan-2-ylsulfonylamino)acetate;1-methyl-4-propan-2-ylsulfonylpiperazine;S-(2-methylpropyl) ethanethioate;1-methylsulfonyl-4-propan-2-ylpiperazine;4-methylsulfonyl-1-propan-2-ylpiperidine;N-(2-oxopropyl)propane-2-sulfonamide;propan-2-ylsulfonylmethylcyclopropane;1-propan-2-ylsulfonylpiperidine;1-propan-2-ylsulfonylpyrrolidine;bis(N-propylpropane-2-sulfonamide)

N,N-diethylpropane-2-sulfonamide;N,N-dimethylpropane-2-sulfonamide;N,N-dimethyl-1-propan-2-ylpiperidine-4-sulfonamide;N-(2,2-dimethylpropyl)propane-2-sulfonamide;ethane;methane;methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate;N-methylpropane-2-sulfonamide;2-methylpropane-1-thiol;methyl 2-(propan-2-ylsulfonylamino)acetate;1-methyl-4-propan-2-ylsulfonylpiperazine;S-(2-methylpropyl) ethanethioate;1-methylsulfonyl-4-propan-2-ylpiperazine;4-methylsulfonyl-1-propan-2-ylpiperidine;N-(2-oxopropyl)propane-2-sulfonamide;propan-2-ylsulfonylmethylcyclopropane;1-propan-2-ylsulfonylpiperidine;1-propan-2-ylsulfonylpyrrolidine;bis(N-propylpropane-2-sulfonamide) (PubChem CID 157441609) has the molecular formula C133H308N18O38S18 and a molecular weight of 3345.22 g/mol. Its IUPAC name is N,N-diethylpropane-2-sulfonamide;N,N-dimethylpropane-2-sulfonamide;N,N-dimethyl-1-propan-2-ylpiperidine-4-sulfonamide;N-(2,2-dimethylpropyl)propane-2-sulfonamide;ethane;methane;methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate;N-methylpropane-2-sulfonamide;2-methylpropane-1-thiol;methyl 2-(propan-2-ylsulfonylamino)acetate;1-methyl-4-propan-2-ylsulfonylpiperazine;S-(2-methylpropyl) ethanethioate;1-methylsulfonyl-4-propan-2-ylpiperazine;4-methylsulfonyl-1-propan-2-ylpiperidine;N-(2-oxopropyl)propane-2-sulfonamide;propan-2-ylsulfonylmethylcyclopropane;1-propan-2-ylsulfonylpiperidine;1-propan-2-ylsulfonylpyrrolidine;bis(N-propylpropane-2-sulfonamide).

Molecular Properties

• Compound Name: N,N-diethylpropane-2-sulfonamide;N,N-dimethylpropane-2-sulfonamide;N,N-dimethyl-1-propan-2-ylpiperidine-4-sulfonamide;N-(2,2-dimethylpropyl)propane-2-sulfonamide;ethane;methane;methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate;N-methylpropane-2-sulfonamide;2-methylpropane-1-thiol;methyl 2-(propan-2-ylsulfonylamino)acetate;1-methyl-4-propan-2-ylsulfonylpiperazine;S-(2-methylpropyl) ethanethioate;1-methylsulfonyl-4-propan-2-ylpiperazine;4-methylsulfonyl-1-propan-2-ylpiperidine;N-(2-oxopropyl)propane-2-sulfonamide;propan-2-ylsulfonylmethylcyclopropane;1-propan-2-ylsulfonylpiperidine;1-propan-2-ylsulfonylpyrrolidine;bis(N-propylpropane-2-sulfonamide)
• PubChem CID: 157441609
• Molecular Formula: C133H308N18O38S18
• Molecular Weight: 3345.22 g/mol
• Exact Mass: 3341.77
• IUPAC Name: N,N-diethylpropane-2-sulfonamide;N,N-dimethylpropane-2-sulfonamide;N,N-dimethyl-1-propan-2-ylpiperidine-4-sulfonamide;N-(2,2-dimethylpropyl)propane-2-sulfonamide;ethane;methane;methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate;N-methylpropane-2-sulfonamide;2-methylpropane-1-thiol;methyl 2-(propan-2-ylsulfonylamino)acetate;1-methyl-4-propan-2-ylsulfonylpiperazine;S-(2-methylpropyl) ethanethioate;1-methylsulfonyl-4-propan-2-ylpiperazine;4-methylsulfonyl-1-propan-2-ylpiperidine;N-(2-oxopropyl)propane-2-sulfonamide;propan-2-ylsulfonylmethylcyclopropane;1-propan-2-ylsulfonylpiperidine;1-propan-2-ylsulfonylpyrrolidine;bis(N-propylpropane-2-sulfonamide)
• SMILES: C.CC.CC.CC.CC.CC(=O)CNS(=O)(=O)C(C)C.CC(=O)SCC(C)C.CC(C)CS.CC(C)N1CCC(S(=O)(=O)N(C)C)CC1.CC(C)N1CCC(S(C)(=O)=O)CC1.CC(C)N1CCN(S(C)(=O)=O)CC1.CC(C)S(=O)(=O)CC1CC1.CC(C)S(=O)(=O)N(C)C.CC(C)S(=O)(=O)N1CCCC1.CC(C)S(=O)(=O)N1CCCCC1.CC(C)S(=O)(=O)N1CCN(C)CC1.CC(C)S(=O)(=O)NCC(C)(C)C.CCCNS(=O)(=O)C(C)C.CCCNS(=O)(=O)C(C)C.CCN(CC)S(=O)(=O)C(C)C.CNS(=O)(=O)C(C)C.COC(=O)CNS(=O)(=O)C(C)C.COC(=O)[C@@H](NS(=O)(=O)C(C)C)C(C)C
• InChI: InChI=1S/C10H22N2O2S.C9H19NO4S.C9H19NO2S.2C8H18N2O2S.C8H17NO2S.C8H19NO2S.C7H15NO2S.C7H17NO2S.C7H14O2S.C6H13NO4S.C6H13NO3S.2C6H15NO2S.C6H12OS.C5H13NO2S.C4H11NO2S.C4H10S.4C2H6.CH4/c1-9(2)12-7-5-10(6-8-12)15(13,14)11(3)4;1-6(2)8(9(11)14-5)10-15(12,13)7(3)4;1-8(2)10-6-4-9(5-7-10)13(3,11)12;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-8(2)13(11,12)10-6-4-9(3)5-7-10;1-8(2)12(10,11)9-6-4-3-5-7-9;1-7(2)12(10,11)9-6-8(3,4)5;1-7(2)11(9,10)8-5-3-4-6-8;1-5-8(6-2)11(9,10)7(3)4;1-6(2)10(8,9)5-7-3-4-7;1-5(2)12(9,10)7-4-6(8)11-3;1-5(2)11(9,10)7-4-6(3)8;2*1-4-5-7-10(8,9)6(2)3;1-5(2)4-8-6(3)7;1-5(2)9(7,8)6(3)4;1-4(2)8(6,7)5-3;1-4(2)3-5;4*1-2;/h9-10H,5-8H2,1-4H3;6-8,10H,1-5H3;8-9H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7,9H,6H2,1-5H3;7H,3-6H2,1-2H3;7H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;5,7H,4H2,1-3H3;5,7H,4H2,1-3H3;2*6-7H,4-5H2,1-3H3;5H,4H2,1-3H3;5H,1-4H3;4-5H,1-3H3;4-5H,3H2,1-2H3;4*1-2H3;1H4/t;8-;;;;;;;;;;;;;;;;;;;;;/m.0...................../s1
• InChIKey: BRSXKOTYCAMAIQ-LFDKWYSNSA-N
• XLogP: 17.09
• TPSA: 752.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 44
• Rotatable Bonds: 51
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3345.22
LogP ≤ 5	17.09
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-diethylpropane-2-sulfonamide;N,N-dimethylpropane-2-sulfonamide;N,N-dimethyl-1-propan-2-ylpiperidine-4-sulfonamide;N-(2,2-dimethylpropyl)propane-2-sulfonamide;ethane;methane;methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate;N-methylpropane-2-sulfonamide;2-methylpropane-1-thiol;methyl 2-(propan-2-ylsulfonylamino)acetate;1-methyl-4-propan-2-ylsulfonylpiperazine;S-(2-methylpropyl) ethanethioate;1-methylsulfonyl-4-propan-2-ylpiperazine;4-methylsulfonyl-1-propan-2-ylpiperidine;N-(2-oxopropyl)propane-2-sulfonamide;propan-2-ylsulfonylmethylcyclopropane;1-propan-2-ylsulfonylpiperidine;1-propan-2-ylsulfonylpyrrolidine;bis(N-propylpropane-2-sulfonamide)?

The IUPAC name of N,N-diethylpropane-2-sulfonamide;N,N-dimethylpropane-2-sulfonamide;N,N-dimethyl-1-propan-2-ylpiperidine-4-sulfonamide;N-(2,2-dimethylpropyl)propane-2-sulfonamide;ethane;methane;methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate;N-methylpropane-2-sulfonamide;2-methylpropane-1-thiol;methyl 2-(propan-2-ylsulfonylamino)acetate;1-methyl-4-propan-2-ylsulfonylpiperazine;S-(2-methylpropyl) ethanethioate;1-methylsulfonyl-4-propan-2-ylpiperazine;4-methylsulfonyl-1-propan-2-ylpiperidine;N-(2-oxopropyl)propane-2-sulfonamide;propan-2-ylsulfonylmethylcyclopropane;1-propan-2-ylsulfonylpiperidine;1-propan-2-ylsulfonylpyrrolidine;bis(N-propylpropane-2-sulfonamide) (CID 157441609) is N,N-diethylpropane-2-sulfonamide;N,N-dimethylpropane-2-sulfonamide;N,N-dimethyl-1-propan-2-ylpiperidine-4-sulfonamide;N-(2,2-dimethylpropyl)propane-2-sulfonamide;ethane;methane;methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate;N-methylpropane-2-sulfonamide;2-methylpropane-1-thiol;methyl 2-(propan-2-ylsulfonylamino)acetate;1-methyl-4-propan-2-ylsulfonylpiperazine;S-(2-methylpropyl) ethanethioate;1-methylsulfonyl-4-propan-2-ylpiperazine;4-methylsulfonyl-1-propan-2-ylpiperidine;N-(2-oxopropyl)propane-2-sulfonamide;propan-2-ylsulfonylmethylcyclopropane;1-propan-2-ylsulfonylpiperidine;1-propan-2-ylsulfonylpyrrolidine;bis(N-propylpropane-2-sulfonamide).

What is the SMILES notation for N,N-diethylpropane-2-sulfonamide;N,N-dimethylpropane-2-sulfonamide;N,N-dimethyl-1-propan-2-ylpiperidine-4-sulfonamide;N-(2,2-dimethylpropyl)propane-2-sulfonamide;ethane;methane;methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate;N-methylpropane-2-sulfonamide;2-methylpropane-1-thiol;methyl 2-(propan-2-ylsulfonylamino)acetate;1-methyl-4-propan-2-ylsulfonylpiperazine;S-(2-methylpropyl) ethanethioate;1-methylsulfonyl-4-propan-2-ylpiperazine;4-methylsulfonyl-1-propan-2-ylpiperidine;N-(2-oxopropyl)propane-2-sulfonamide;propan-2-ylsulfonylmethylcyclopropane;1-propan-2-ylsulfonylpiperidine;1-propan-2-ylsulfonylpyrrolidine;bis(N-propylpropane-2-sulfonamide)?

The canonical SMILES for N,N-diethylpropane-2-sulfonamide;N,N-dimethylpropane-2-sulfonamide;N,N-dimethyl-1-propan-2-ylpiperidine-4-sulfonamide;N-(2,2-dimethylpropyl)propane-2-sulfonamide;ethane;methane;methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate;N-methylpropane-2-sulfonamide;2-methylpropane-1-thiol;methyl 2-(propan-2-ylsulfonylamino)acetate;1-methyl-4-propan-2-ylsulfonylpiperazine;S-(2-methylpropyl) ethanethioate;1-methylsulfonyl-4-propan-2-ylpiperazine;4-methylsulfonyl-1-propan-2-ylpiperidine;N-(2-oxopropyl)propane-2-sulfonamide;propan-2-ylsulfonylmethylcyclopropane;1-propan-2-ylsulfonylpiperidine;1-propan-2-ylsulfonylpyrrolidine;bis(N-propylpropane-2-sulfonamide) is C.CC.CC.CC.CC.CC(=O)CNS(=O)(=O)C(C)C.CC(=O)SCC(C)C.CC(C)CS.CC(C)N1CCC(S(=O)(=O)N(C)C)CC1.CC(C)N1CCC(S(C)(=O)=O)CC1.CC(C)N1CCN(S(C)(=O)=O)CC1.CC(C)S(=O)(=O)CC1CC1.CC(C)S(=O)(=O)N(C)C.CC(C)S(=O)(=O)N1CCCC1.CC(C)S(=O)(=O)N1CCCCC1.CC(C)S(=O)(=O)N1CCN(C)CC1.CC(C)S(=O)(=O)NCC(C)(C)C.CCCNS(=O)(=O)C(C)C.CCCNS(=O)(=O)C(C)C.CCN(CC)S(=O)(=O)C(C)C.CNS(=O)(=O)C(C)C.COC(=O)CNS(=O)(=O)C(C)C.COC(=O)[C@@H](NS(=O)(=O)C(C)C)C(C)C.

What is the InChIKey of N,N-diethylpropane-2-sulfonamide;N,N-dimethylpropane-2-sulfonamide;N,N-dimethyl-1-propan-2-ylpiperidine-4-sulfonamide;N-(2,2-dimethylpropyl)propane-2-sulfonamide;ethane;methane;methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate;N-methylpropane-2-sulfonamide;2-methylpropane-1-thiol;methyl 2-(propan-2-ylsulfonylamino)acetate;1-methyl-4-propan-2-ylsulfonylpiperazine;S-(2-methylpropyl) ethanethioate;1-methylsulfonyl-4-propan-2-ylpiperazine;4-methylsulfonyl-1-propan-2-ylpiperidine;N-(2-oxopropyl)propane-2-sulfonamide;propan-2-ylsulfonylmethylcyclopropane;1-propan-2-ylsulfonylpiperidine;1-propan-2-ylsulfonylpyrrolidine;bis(N-propylpropane-2-sulfonamide)?

The InChIKey is BRSXKOTYCAMAIQ-LFDKWYSNSA-N. The full InChI is InChI=1S/C10H22N2O2S.C9H19NO4S.C9H19NO2S.2C8H18N2O2S.C8H17NO2S.C8H19NO2S.C7H15NO2S.C7H17NO2S.C7H14O2S.C6H13NO4S.C6H13NO3S.2C6H15NO2S.C6H12OS.C5H13NO2S.C4H11NO2S.C4H10S.4C2H6.CH4/c1-9(2)12-7-5-10(6-8-12)15(13,14)11(3)4;1-6(2)8(9(11)14-5)10-15(12,13)7(3)4;1-8(2)10-6-4-9(5-7-10)13(3,11)12;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-8(2)13(11,12)10-6-4-9(3)5-7-10;1-8(2)12(10,11)9-6-4-3-5-7-9;1-7(2)12(10,11)9-6-8(3,4)5;1-7(2)11(9,10)8-5-3-4-6-8;1-5-8(6-2)11(9,10)7(3)4;1-6(2)10(8,9)5-7-3-4-7;1-5(2)12(9,10)7-4-6(8)11-3;1-5(2)11(9,10)7-4-6(3)8;2*1-4-5-7-10(8,9)6(2)3;1-5(2)4-8-6(3)7;1-5(2)9(7,8)6(3)4;1-4(2)8(6,7)5-3;1-4(2)3-5;4*1-2;/h9-10H,5-8H2,1-4H3;6-8,10H,1-5H3;8-9H,4-7H2,1-3H3;2*8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7,9H,6H2,1-5H3;7H,3-6H2,1-2H3;7H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;5,7H,4H2,1-3H3;5,7H,4H2,1-3H3;2*6-7H,4-5H2,1-3H3;5H,4H2,1-3H3;5H,1-4H3;4-5H,1-3H3;4-5H,3H2,1-2H3;4*1-2H3;1H4/t;8-;;;;;;;;;;;;;;;;;;;;;/m.0...................../s1.

What are the key properties of N,N-diethylpropane-2-sulfonamide;N,N-dimethylpropane-2-sulfonamide;N,N-dimethyl-1-propan-2-ylpiperidine-4-sulfonamide;N-(2,2-dimethylpropyl)propane-2-sulfonamide;ethane;methane;methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate;N-methylpropane-2-sulfonamide;2-methylpropane-1-thiol;methyl 2-(propan-2-ylsulfonylamino)acetate;1-methyl-4-propan-2-ylsulfonylpiperazine;S-(2-methylpropyl) ethanethioate;1-methylsulfonyl-4-propan-2-ylpiperazine;4-methylsulfonyl-1-propan-2-ylpiperidine;N-(2-oxopropyl)propane-2-sulfonamide;propan-2-ylsulfonylmethylcyclopropane;1-propan-2-ylsulfonylpiperidine;1-propan-2-ylsulfonylpyrrolidine;bis(N-propylpropane-2-sulfonamide)?

N,N-diethylpropane-2-sulfonamide;N,N-dimethylpropane-2-sulfonamide;N,N-dimethyl-1-propan-2-ylpiperidine-4-sulfonamide;N-(2,2-dimethylpropyl)propane-2-sulfonamide;ethane;methane;methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate;N-methylpropane-2-sulfonamide;2-methylpropane-1-thiol;methyl 2-(propan-2-ylsulfonylamino)acetate;1-methyl-4-propan-2-ylsulfonylpiperazine;S-(2-methylpropyl) ethanethioate;1-methylsulfonyl-4-propan-2-ylpiperazine;4-methylsulfonyl-1-propan-2-ylpiperidine;N-(2-oxopropyl)propane-2-sulfonamide;propan-2-ylsulfonylmethylcyclopropane;1-propan-2-ylsulfonylpiperidine;1-propan-2-ylsulfonylpyrrolidine;bis(N-propylpropane-2-sulfonamide) has a molecular weight of 3345.22 g/mol, XLogP of 17.09, 51 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethylpropane-2-sulfonamide;N,N-dimethylpropane-2-sulfonamide;N,N-dimethyl-1-propan-2-ylpiperidine-4-sulfonamide;N-(2,2-dimethylpropyl)propane-2-sulfonamide;ethane;methane;methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate;N-methylpropane-2-sulfonamide;2-methylpropane-1-thiol;methyl 2-(propan-2-ylsulfonylamino)acetate;1-methyl-4-propan-2-ylsulfonylpiperazine;S-(2-methylpropyl) ethanethioate;1-methylsulfonyl-4-propan-2-ylpiperazine;4-methylsulfonyl-1-propan-2-ylpiperidine;N-(2-oxopropyl)propane-2-sulfonamide;propan-2-ylsulfonylmethylcyclopropane;1-propan-2-ylsulfonylpiperidine;1-propan-2-ylsulfonylpyrrolidine;bis(N-propylpropane-2-sulfonamide) is sourced from PubChem (CID 157441609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).