(2S)-N,N-diethyl-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide

C14H22N2OS — CID 97157629

IUPAC(2S)-N,N-diethyl-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN1Cc1ccsc1
InChIInChI=1S/C14H22N2OS/c1-3-15(4-2)14(17)13-6-5-8-16(13)10-12-7-9-18-11-12/h7,9,11,13H,3-6,8,10H2,1-2H3/t13-/m0/s1
InChIKeyNAFORWHDHGBEMC-ZDUSSCGKSA-N
MW266.41 g/mol
LogP2.58
Rot. Bonds5

About (2S)-N,N-diethyl-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide

(2S)-N,N-diethyl-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 97157629) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is (2S)-N,N-diethyl-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-diethyl-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID97157629
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name(2S)-N,N-diethyl-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCCN1Cc1ccsc1
InChIInChI=1S/C14H22N2OS/c1-3-15(4-2)14(17)13-6-5-8-16(13)10-12-7-9-18-11-12/h7,9,11,13H,3-6,8,10H2,1-2H3/t13-/m0/s1
InChIKeyNAFORWHDHGBEMC-ZDUSSCGKSA-N
XLogP2.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-N,N-diethyl-1-(thiophen-3-ylmethyl)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

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-diethyl-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N,N-diethyl-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide (CID 97157629) is (2S)-N,N-diethyl-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-diethyl-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N,N-diethyl-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1CCCN1Cc1ccsc1.
What is the InChIKey of (2S)-N,N-diethyl-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is NAFORWHDHGBEMC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-15(4-2)14(17)13-6-5-8-16(13)10-12-7-9-18-11-12/h7,9,11,13H,3-6,8,10H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-N,N-diethyl-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-N,N-diethyl-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diethyl-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 97157629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).