N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide

C11H16N2O3S2 — CID 138001558

IUPACN-[(5-methylsulfonylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)C2CCCN2)s1
InChIInChI=1S/C11H16N2O3S2/c1-18(15,16)10-5-4-8(17-10)7-13-11(14)9-3-2-6-12-9/h4-5,9,12H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyCHYPYMDSRWISEG-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.52
Rot. Bonds4

About N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide

N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 138001558) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methylsulfonylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID138001558
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC NameN-[(5-methylsulfonylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)C2CCCN2)s1
InChIInChI=1S/C11H16N2O3S2/c1-18(15,16)10-5-4-8(17-10)7-13-11(14)9-3-2-6-12-9/h4-5,9,12H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyCHYPYMDSRWISEG-UHFFFAOYSA-N
XLogP0.52
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(5-methylsulfonylthiophen-2-yl)methyl]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

(2R)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 93263831
(2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide
CID 103812203
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
(2S)-N-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 102391409
(2R)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 103814867
(2S)-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide
CID 22691434
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
N-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120841285
N-[(4-sulfamoylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263305
(2S)-N-[[2,4,6-triethyl-3,5-bis[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 50906055
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide (CID 138001558) is N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)C2CCCN2)s1.
What is the InChIKey of N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is CHYPYMDSRWISEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-18(15,16)10-5-4-8(17-10)7-13-11(14)9-3-2-6-12-9/h4-5,9,12H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide?
N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylsulfonylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 138001558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).