N-cyclopropyl-2-methylpropanamide;N,N-dimethylpropane-2-sulfonamide;N-methylpropane-2-sulfonamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylsulfonylpiperazine;4-propan-2-ylsulfonylmorpholine;1-propan-2-ylsulfonylpyrrolidine

C42H93N7O14S5 — CID 159111244

IUPACN-cyclopropyl-2-methylpropanamide;N,N-dimethylpropane-2-sulfonamide;N-methylpropane-2-sulfonamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylsulfonylpiperazine;4-propan-2-ylsulfonylmorpholine;1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)C(=O)NC1CC1.CC(C)C(=O)O.CC(C)S(=O)(=O)N(C)C.CC(C)S(=O)(=O)N1CCCC1.CC(C)S(=O)(=O)N1CCN(C)CC1.CC(C)S(=O)(=O)N1CCOCC1.CNS(=O)(=O)C(C)C
InChIInChI=1S/C8H18N2O2S.C7H15NO3S.C7H15NO2S.C7H13NO.C5H13NO2S.C4H11NO2S.C4H8O2/c1-8(2)13(11,12)10-6-4-9(3)5-7-10;1-7(2)12(9,10)8-3-5-11-6-4-8;1-7(2)11(9,10)8-5-3-4-6-8;1-5(2)7(9)8-6-3-4-6;1-5(2)9(7,8)6(3)4;1-4(2)8(6,7)5-3;1-3(2)4(5)6/h8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3,(H,8,9);5H,1-4H3;4-5H,1-3H3;3H,1-2H3,(H,5,6)
InChIKeyKENDUJJWZXAWQL-UHFFFAOYSA-N
MW1080.58 g/mol
LogP2.73
Rot. Bonds13

About N-cyclopropyl-2-methylpropanamide;N,N-dimethylpropane-2-sulfonamide;N-methylpropane-2-sulfonamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylsulfonylpiperazine;4-propan-2-ylsulfonylmorpholine;1-propan-2-ylsulfonylpyrrolidine

N-cyclopropyl-2-methylpropanamide;N,N-dimethylpropane-2-sulfonamide;N-methylpropane-2-sulfonamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylsulfonylpiperazine;4-propan-2-ylsulfonylmorpholine;1-propan-2-ylsulfonylpyrrolidine (PubChem CID 159111244) has the molecular formula C42H93N7O14S5 and a molecular weight of 1080.58 g/mol. Its IUPAC name is N-cyclopropyl-2-methylpropanamide;N,N-dimethylpropane-2-sulfonamide;N-methylpropane-2-sulfonamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylsulfonylpiperazine;4-propan-2-ylsulfonylmorpholine;1-propan-2-ylsulfonylpyrrolidine.

Molecular Properties

Compound NameN-cyclopropyl-2-methylpropanamide;N,N-dimethylpropane-2-sulfonamide;N-methylpropane-2-sulfonamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylsulfonylpiperazine;4-propan-2-ylsulfonylmorpholine;1-propan-2-ylsulfonylpyrrolidine
PubChem CID159111244
Molecular FormulaC42H93N7O14S5
Molecular Weight1080.58 g/mol
Exact Mass1079.54
IUPAC NameN-cyclopropyl-2-methylpropanamide;N,N-dimethylpropane-2-sulfonamide;N-methylpropane-2-sulfonamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylsulfonylpiperazine;4-propan-2-ylsulfonylmorpholine;1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)C(=O)NC1CC1.CC(C)C(=O)O.CC(C)S(=O)(=O)N(C)C.CC(C)S(=O)(=O)N1CCCC1.CC(C)S(=O)(=O)N1CCN(C)CC1.CC(C)S(=O)(=O)N1CCOCC1.CNS(=O)(=O)C(C)C
InChIInChI=1S/C8H18N2O2S.C7H15NO3S.C7H15NO2S.C7H13NO.C5H13NO2S.C4H11NO2S.C4H8O2/c1-8(2)13(11,12)10-6-4-9(3)5-7-10;1-7(2)12(9,10)8-3-5-11-6-4-8;1-7(2)11(9,10)8-5-3-4-6-8;1-5(2)7(9)8-6-3-4-6;1-5(2)9(7,8)6(3)4;1-4(2)8(6,7)5-3;1-3(2)4(5)6/h8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3,(H,8,9);5H,1-4H3;4-5H,1-3H3;3H,1-2H3,(H,5,6)
InChIKeyKENDUJJWZXAWQL-UHFFFAOYSA-N
XLogP2.73
TPSA274.56 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001080.58
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze N-cyclopropyl-2-methylpropanamide;N,N-dimethylpropane-2-sulfonamide;N-methylpropane-2-sulfonamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylsulfonylpiperazine;4-propan-2-ylsulfonylmorpholine;1-propan-2-ylsulfonylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methylpropanamide;N,N-dimethylpropane-2-sulfonamide;N-methylpropane-2-sulfonamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylsulfonylpiperazine;4-propan-2-ylsulfonylmorpholine;1-propan-2-ylsulfonylpyrrolidine?
The IUPAC name of N-cyclopropyl-2-methylpropanamide;N,N-dimethylpropane-2-sulfonamide;N-methylpropane-2-sulfonamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylsulfonylpiperazine;4-propan-2-ylsulfonylmorpholine;1-propan-2-ylsulfonylpyrrolidine (CID 159111244) is N-cyclopropyl-2-methylpropanamide;N,N-dimethylpropane-2-sulfonamide;N-methylpropane-2-sulfonamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylsulfonylpiperazine;4-propan-2-ylsulfonylmorpholine;1-propan-2-ylsulfonylpyrrolidine.
What is the SMILES notation for N-cyclopropyl-2-methylpropanamide;N,N-dimethylpropane-2-sulfonamide;N-methylpropane-2-sulfonamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylsulfonylpiperazine;4-propan-2-ylsulfonylmorpholine;1-propan-2-ylsulfonylpyrrolidine?
The canonical SMILES for N-cyclopropyl-2-methylpropanamide;N,N-dimethylpropane-2-sulfonamide;N-methylpropane-2-sulfonamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylsulfonylpiperazine;4-propan-2-ylsulfonylmorpholine;1-propan-2-ylsulfonylpyrrolidine is CC(C)C(=O)NC1CC1.CC(C)C(=O)O.CC(C)S(=O)(=O)N(C)C.CC(C)S(=O)(=O)N1CCCC1.CC(C)S(=O)(=O)N1CCN(C)CC1.CC(C)S(=O)(=O)N1CCOCC1.CNS(=O)(=O)C(C)C.
What is the InChIKey of N-cyclopropyl-2-methylpropanamide;N,N-dimethylpropane-2-sulfonamide;N-methylpropane-2-sulfonamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylsulfonylpiperazine;4-propan-2-ylsulfonylmorpholine;1-propan-2-ylsulfonylpyrrolidine?
The InChIKey is KENDUJJWZXAWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S.C7H15NO3S.C7H15NO2S.C7H13NO.C5H13NO2S.C4H11NO2S.C4H8O2/c1-8(2)13(11,12)10-6-4-9(3)5-7-10;1-7(2)12(9,10)8-3-5-11-6-4-8;1-7(2)11(9,10)8-5-3-4-6-8;1-5(2)7(9)8-6-3-4-6;1-5(2)9(7,8)6(3)4;1-4(2)8(6,7)5-3;1-3(2)4(5)6/h8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;5-6H,3-4H2,1-2H3,(H,8,9);5H,1-4H3;4-5H,1-3H3;3H,1-2H3,(H,5,6).
What are the key properties of N-cyclopropyl-2-methylpropanamide;N,N-dimethylpropane-2-sulfonamide;N-methylpropane-2-sulfonamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylsulfonylpiperazine;4-propan-2-ylsulfonylmorpholine;1-propan-2-ylsulfonylpyrrolidine?
N-cyclopropyl-2-methylpropanamide;N,N-dimethylpropane-2-sulfonamide;N-methylpropane-2-sulfonamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylsulfonylpiperazine;4-propan-2-ylsulfonylmorpholine;1-propan-2-ylsulfonylpyrrolidine has a molecular weight of 1080.58 g/mol, XLogP of 2.73, 13 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methylpropanamide;N,N-dimethylpropane-2-sulfonamide;N-methylpropane-2-sulfonamide;2-methylpropanoic acid;1-methyl-4-propan-2-ylsulfonylpiperazine;4-propan-2-ylsulfonylmorpholine;1-propan-2-ylsulfonylpyrrolidine is sourced from PubChem (CID 159111244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).