2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide

C10H16N4O3S — CID 136531661

IUPAC2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C10H16N4O3S/c1-13-10(4-5-11-13)18(16,17)12-8-9(15)14-6-2-3-7-14/h4-5,12H,2-3,6-8H2,1H3
InChIKeyKCHKJMLJEKNEIS-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.68
Rot. Bonds4

About 2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide

2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide (PubChem CID 136531661) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide
PubChem CID136531661
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C10H16N4O3S/c1-13-10(4-5-11-13)18(16,17)12-8-9(15)14-6-2-3-7-14/h4-5,12H,2-3,6-8H2,1H3
InChIKeyKCHKJMLJEKNEIS-UHFFFAOYSA-N
XLogP-0.68
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-3-sulfonamide
CID 104710214
2-[(2-methylpyrazol-3-yl)sulfonylamino]acetamide
CID 104709783
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylpyrazole-3-sulfonamide
CID 104710131
2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 95043723
2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-3-sulfonamide
CID 128995357
3-[(2-methylpyrazol-3-yl)sulfonylamino]butanoic acid
CID 104709527
N-[2-(cycloheptylamino)ethyl]-2-methylpyrazole-3-sulfonamide
CID 104710326
5-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 47139078
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpyrazole-3-sulfonamide
CID 113444051
2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide
CID 113405985
5-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]furan-2-carboxylic acid
CID 104709706
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 112995974

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide?
The IUPAC name of 2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide (CID 136531661) is 2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NCC(=O)N1CCCC1.
What is the InChIKey of 2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide?
The InChIKey is KCHKJMLJEKNEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-13-10(4-5-11-13)18(16,17)12-8-9(15)14-6-2-3-7-14/h4-5,12H,2-3,6-8H2,1H3.
What are the key properties of 2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide?
2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide has a molecular weight of 272.33 g/mol, XLogP of -0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 136531661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).