1-methyl-2-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide

C10H12N2O4S2 — CID 86798672

IUPAC1-methyl-2-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)NS(=O)(=O)c2cccs2)C1=O
InChIInChI=1S/C10H12N2O4S2/c1-12-5-4-7(10(12)14)9(13)11-18(15,16)8-3-2-6-17-8/h2-3,6-7H,4-5H2,1H3,(H,11,13)
InChIKeyWDPACHXEQWUASZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.03
Rot. Bonds3

About 1-methyl-2-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide

1-methyl-2-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide (PubChem CID 86798672) has the molecular formula C10H12N2O4S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide
PubChem CID86798672
Molecular FormulaC10H12N2O4S2
Molecular Weight288.35 g/mol
Exact Mass288.02
IUPAC Name1-methyl-2-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide
SMILESCN1CCC(C(=O)NS(=O)(=O)c2cccs2)C1=O
InChIInChI=1S/C10H12N2O4S2/c1-12-5-4-7(10(12)14)9(13)11-18(15,16)8-3-2-6-17-8/h2-3,6-7H,4-5H2,1H3,(H,11,13)
InChIKeyWDPACHXEQWUASZ-UHFFFAOYSA-N
XLogP0.03
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-thiophen-2-ylsulfonylcyclopropanecarboxamide
CID 47232134
(3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide
CID 129405236
(3S)-1-cyclopentyl-5-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide
CID 94186669
thiophen-2-ylsulfonylurea;urea
CID 19065180
N-tert-butyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7914403
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N-thiophen-2-ylsulfonylprop-2-enamide
CID 139972027
2-(thiophen-2-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 64816831
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
N-[(2S)-3-methylbutan-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27511485

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide (CID 86798672) is 1-methyl-2-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide is CN1CCC(C(=O)NS(=O)(=O)c2cccs2)C1=O.
What is the InChIKey of 1-methyl-2-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide?
The InChIKey is WDPACHXEQWUASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S2/c1-12-5-4-7(10(12)14)9(13)11-18(15,16)8-3-2-6-17-8/h2-3,6-7H,4-5H2,1H3,(H,11,13).
What are the key properties of 1-methyl-2-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide?
1-methyl-2-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-thiophen-2-ylsulfonylpyrrolidine-3-carboxamide is sourced from PubChem (CID 86798672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).