5-[(2R)-2-acetylpyrrolidine-1-carbonyl]pyridine-2-sulfonamide

C12H15N3O4S — CID 168983036

IUPAC5-[(2R)-2-acetylpyrrolidine-1-carbonyl]pyridine-2-sulfonamide
SMILESCC(=O)[C@H]1CCCN1C(=O)c1ccc(S(N)(=O)=O)nc1
InChIInChI=1S/C12H15N3O4S/c1-8(16)10-3-2-6-15(10)12(17)9-4-5-11(14-7-9)20(13,18)19/h4-5,7,10H,2-3,6H2,1H3,(H2,13,18,19)/t10-/m1/s1
InChIKeyXBENJZPRNFMIJA-SNVBAGLBSA-N
MW297.34 g/mol
LogP-0.08
Rot. Bonds3

About 5-[(2R)-2-acetylpyrrolidine-1-carbonyl]pyridine-2-sulfonamide

5-[(2R)-2-acetylpyrrolidine-1-carbonyl]pyridine-2-sulfonamide (PubChem CID 168983036) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 5-[(2R)-2-acetylpyrrolidine-1-carbonyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[(2R)-2-acetylpyrrolidine-1-carbonyl]pyridine-2-sulfonamide
PubChem CID168983036
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name5-[(2R)-2-acetylpyrrolidine-1-carbonyl]pyridine-2-sulfonamide
SMILESCC(=O)[C@H]1CCCN1C(=O)c1ccc(S(N)(=O)=O)nc1
InChIInChI=1S/C12H15N3O4S/c1-8(16)10-3-2-6-15(10)12(17)9-4-5-11(14-7-9)20(13,18)19/h4-5,7,10H,2-3,6H2,1H3,(H2,13,18,19)/t10-/m1/s1
InChIKeyXBENJZPRNFMIJA-SNVBAGLBSA-N
XLogP-0.08
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2R)-2-acetylpyrrolidine-1-carbonyl]pyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[4-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 59403363
6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl (2R)-1-(6-sulfamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 168983051
1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 63972948
1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone
CID 168983000
(2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 125147875
tert-butyl (2S)-1-(6-methylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 80999359
(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034423
(6-amino-3-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
CID 62151940
1-[6-(azepan-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356013
(2R)-1-[6-(azepan-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371097
(2R)-1-(3-fluoro-4-sulfamoylbenzoyl)pyrrolidine-2-carboxylic acid
CID 167812921
(3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone
CID 123523269

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-acetylpyrrolidine-1-carbonyl]pyridine-2-sulfonamide?
The IUPAC name of 5-[(2R)-2-acetylpyrrolidine-1-carbonyl]pyridine-2-sulfonamide (CID 168983036) is 5-[(2R)-2-acetylpyrrolidine-1-carbonyl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-[(2R)-2-acetylpyrrolidine-1-carbonyl]pyridine-2-sulfonamide?
The canonical SMILES for 5-[(2R)-2-acetylpyrrolidine-1-carbonyl]pyridine-2-sulfonamide is CC(=O)[C@H]1CCCN1C(=O)c1ccc(S(N)(=O)=O)nc1.
What is the InChIKey of 5-[(2R)-2-acetylpyrrolidine-1-carbonyl]pyridine-2-sulfonamide?
The InChIKey is XBENJZPRNFMIJA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-8(16)10-3-2-6-15(10)12(17)9-4-5-11(14-7-9)20(13,18)19/h4-5,7,10H,2-3,6H2,1H3,(H2,13,18,19)/t10-/m1/s1.
What are the key properties of 5-[(2R)-2-acetylpyrrolidine-1-carbonyl]pyridine-2-sulfonamide?
5-[(2R)-2-acetylpyrrolidine-1-carbonyl]pyridine-2-sulfonamide has a molecular weight of 297.34 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-acetylpyrrolidine-1-carbonyl]pyridine-2-sulfonamide is sourced from PubChem (CID 168983036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).