N-thiophen-2-ylpyrrolidine-1-carboxamide

C9H12N2OS — CID 12622323

IUPACN-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCCC1
InChIInChI=1S/C9H12N2OS/c12-9(11-5-1-2-6-11)10-8-4-3-7-13-8/h3-4,7H,1-2,5-6H2,(H,10,12)
InChIKeyUIKXKQRDTAROKF-UHFFFAOYSA-N
MW196.28 g/mol
LogP2.38
Rot. Bonds1

About N-thiophen-2-ylpyrrolidine-1-carboxamide

N-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 12622323) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol. Its IUPAC name is N-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID12622323
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC NameN-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccs1)N1CCCC1
InChIInChI=1S/C9H12N2OS/c12-9(11-5-1-2-6-11)10-8-4-3-7-13-8/h3-4,7H,1-2,5-6H2,(H,10,12)
InChIKeyUIKXKQRDTAROKF-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-thiophen-2-ylpyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-thiophen-2-ylpyrrolidine-1-carboxamide (CID 12622323) is N-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-thiophen-2-ylpyrrolidine-1-carboxamide is O=C(Nc1cccs1)N1CCCC1.
What is the InChIKey of N-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is UIKXKQRDTAROKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-9(11-5-1-2-6-11)10-8-4-3-7-13-8/h3-4,7H,1-2,5-6H2,(H,10,12).
What are the key properties of N-thiophen-2-ylpyrrolidine-1-carboxamide?
N-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 196.28 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 12622323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).