N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide

C13H20N2O3S2 — CID 42595762

IUPACN-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCC(C)(C)CN1C[C@H](NS(=O)(=O)c2cccs2)CC1=O
InChIInChI=1S/C13H20N2O3S2/c1-13(2,3)9-15-8-10(7-11(15)16)14-20(17,18)12-5-4-6-19-12/h4-6,10,14H,7-9H2,1-3H3/t10-/m1/s1
InChIKeyPSHZGYHYTPIOHH-SNVBAGLBSA-N
MW316.45 g/mol
LogP1.67
Rot. Bonds4

About N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide

N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 42595762) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID42595762
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC NameN-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCC(C)(C)CN1C[C@H](NS(=O)(=O)c2cccs2)CC1=O
InChIInChI=1S/C13H20N2O3S2/c1-13(2,3)9-15-8-10(7-11(15)16)14-20(17,18)12-5-4-6-19-12/h4-6,10,14H,7-9H2,1-3H3/t10-/m1/s1
InChIKeyPSHZGYHYTPIOHH-SNVBAGLBSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 95275479
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 7255810
N-(1-methylsulfonylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 110871311
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 110737130
N-[(1S,5R)-3,3,5-trimethylcyclohexyl]thiophene-2-sulfonamide
CID 769116
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 16919844
N-[(3R)-piperidin-3-yl]thiophene-2-sulfonamide
CID 71645820
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 25461445
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 25461444
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-phenylsulfanylacetamide
CID 42525734

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide (CID 42595762) is N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide is CC(C)(C)CN1C[C@H](NS(=O)(=O)c2cccs2)CC1=O.
What is the InChIKey of N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is PSHZGYHYTPIOHH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-13(2,3)9-15-8-10(7-11(15)16)14-20(17,18)12-5-4-6-19-12/h4-6,10,14H,7-9H2,1-3H3/t10-/m1/s1.
What are the key properties of N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide?
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 316.45 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 42595762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).