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

C14H20N2O3S — CID 60711733

IUPACN-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S/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)
InChIKeyPREBDZQZDBAMJQ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.02
Rot. Bonds4

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

N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 60711733) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide
PubChem CID60711733
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S/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)
InChIKeyPREBDZQZDBAMJQ-UHFFFAOYSA-N
XLogP1.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide 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

(2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274665
(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839
(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-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 36687848
(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 N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide (CID 60711733) is N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide is CC(NC(=O)C1CCCN1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is PREBDZQZDBAMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/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).
What are the key properties of N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide?
N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60711733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).