(3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide

C13H18N2O3S — CID 97414974

IUPAC(3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C13H18N2O3S/c1-2-14-13(16)15-9-8-12(10-15)19(17,18)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,14,16)/t12-/m1/s1
InChIKeySLHMLAZRRISWKH-GFCCVEGCSA-N
MW282.36 g/mol
LogP1.26
Rot. Bonds3

About (3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide

(3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide (PubChem CID 97414974) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is (3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide
PubChem CID97414974
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name(3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C13H18N2O3S/c1-2-14-13(16)15-9-8-12(10-15)19(17,18)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,14,16)/t12-/m1/s1
InChIKeySLHMLAZRRISWKH-GFCCVEGCSA-N
XLogP1.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 97354940
(3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 129373851
N-ethyl-4-[4-(1-sulfanylethyl)phenyl]sulfonylpiperidine-1-carboxamide
CID 143457254
3-(benzenesulfonyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 90585047
4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide
CID 143541768
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 71805583
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 90584874
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 90584859
1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one
CID 57396619
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone
CID 90586593
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-2-benzylsulfanylethanone
CID 71805586
3-(benzenesulfonyl)piperidine-1-carboxylic acid
CID 91356890

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide (CID 97414974) is (3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide is CCNC(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide?
The InChIKey is SLHMLAZRRISWKH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-14-13(16)15-9-8-12(10-15)19(17,18)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,14,16)/t12-/m1/s1.
What are the key properties of (3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide?
(3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 97414974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).