(2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

C14H21ClN2O3S — CID 119274665

IUPAC(2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)[C@@H]1CCCN1)c1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-10(16-14(17)13-4-3-9-15-13)11-5-7-12(8-6-11)20(2,18)19;/h5-8,10,13,15H,3-4,9H2,1-2H3,(H,16,17);1H/t10?,13-;/m0./s1
InChIKeyGPMDSMRKPCZFBX-FOKUGOJKSA-N
MW332.85 g/mol
LogP1.44
Rot. Bonds4

About (2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119274665) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is (2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119274665
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name(2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)[C@@H]1CCCN1)c1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-10(16-14(17)13-4-3-9-15-13)11-5-7-12(8-6-11)20(2,18)19;/h5-8,10,13,15H,3-4,9H2,1-2H3,(H,16,17);1H/t10?,13-;/m0./s1
InChIKeyGPMDSMRKPCZFBX-FOKUGOJKSA-N
XLogP1.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 60711733
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927
(2R)-N-[(1R)-1-[4-(difluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 175925248
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 36687848
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
CID 103809894
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[1-(4-ethylsulfanylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119318058

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119274665) is (2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is CC(NC(=O)[C@@H]1CCCN1)c1ccc(S(C)(=O)=O)cc1.Cl.
What is the InChIKey of (2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is GPMDSMRKPCZFBX-FOKUGOJKSA-N. The full InChI is InChI=1S/C14H20N2O3S.ClH/c1-10(16-14(17)13-4-3-9-15-13)11-5-7-12(8-6-11)20(2,18)19;/h5-8,10,13,15H,3-4,9H2,1-2H3,(H,16,17);1H/t10?,13-;/m0./s1.
What are the key properties of (2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 332.85 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119274665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).