N-thiophen-2-ylpyrrolidine-2-carboxamide

C9H12N2OS — CID 115159164

IUPACN-thiophen-2-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccs1)C1CCCN1
InChIInChI=1S/C9H12N2OS/c12-9(7-3-1-5-10-7)11-8-4-2-6-13-8/h2,4,6-7,10H,1,3,5H2,(H,11,12)
InChIKeyIUMVNRVOCHQZLJ-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.44
Rot. Bonds2

About N-thiophen-2-ylpyrrolidine-2-carboxamide

N-thiophen-2-ylpyrrolidine-2-carboxamide (PubChem CID 115159164) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is N-thiophen-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-thiophen-2-ylpyrrolidine-2-carboxamide
PubChem CID115159164
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC NameN-thiophen-2-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccs1)C1CCCN1
InChIInChI=1S/C9H12N2OS/c12-9(7-3-1-5-10-7)11-8-4-2-6-13-8/h2,4,6-7,10H,1,3,5H2,(H,11,12)
InChIKeyIUMVNRVOCHQZLJ-UHFFFAOYSA-N
XLogP1.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 93263831
N-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide
CID 119309311
[(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone
CID 42076584
N-(3-carbamoylthiophen-2-yl)pyrrolidine-2-carboxamide
CID 61254641
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 43124050
(2R)-N-(2-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide
CID 99777125
(2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 61178552
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide
CID 54962408
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304

Frequently Asked Questions

What is the IUPAC name of N-thiophen-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-thiophen-2-ylpyrrolidine-2-carboxamide (CID 115159164) is N-thiophen-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-thiophen-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-thiophen-2-ylpyrrolidine-2-carboxamide is O=C(Nc1cccs1)C1CCCN1.
What is the InChIKey of N-thiophen-2-ylpyrrolidine-2-carboxamide?
The InChIKey is IUMVNRVOCHQZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-9(7-3-1-5-10-7)11-8-4-2-6-13-8/h2,4,6-7,10H,1,3,5H2,(H,11,12).
What are the key properties of N-thiophen-2-ylpyrrolidine-2-carboxamide?
N-thiophen-2-ylpyrrolidine-2-carboxamide has a molecular weight of 196.28 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-thiophen-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 115159164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).