(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide

C14H20N2O3S — CID 165121500

IUPAC(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20N2O3S/c1-11(2)15-14(17)13-9-6-10-16(13)20(18,19)12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,15,17)/t13-/m0/s1
InChIKeySDQLJGLDHKSULQ-ZDUSSCGKSA-N
MW296.39 g/mol
LogP1.36
Rot. Bonds4

About (2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide

(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 165121500) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is (2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID165121500
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H20N2O3S/c1-11(2)15-14(17)13-9-6-10-16(13)20(18,19)12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,15,17)/t13-/m0/s1
InChIKeySDQLJGLDHKSULQ-ZDUSSCGKSA-N
XLogP1.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(benzenesulfonyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 30837322
1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide
CID 17414721
(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363
1-(benzenesulfonyl)pyrrolidine-2-carbohydrazide
CID 555761
(2S)-3-amino-2-[[(2S)-1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]propanoic acid
CID 131965367
(2S)-2-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]hexanoic acid
CID 120615275
2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 18510639
1-(benzenesulfonyl)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 55334760
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
CID 610805
1-(benzenesulfonyl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-2-carboxamide
CID 60573630
(2S)-N-[(2R)-4-(4-aminophenoxy)butan-2-yl]-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
CID 59100240
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide (CID 165121500) is (2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide is CC(C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is SDQLJGLDHKSULQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11(2)15-14(17)13-9-6-10-16(13)20(18,19)12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,15,17)/t13-/m0/s1.
What are the key properties of (2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(benzenesulfonyl)-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 165121500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).