3-(1-hydroxyethyl)-N-(5-methylthiophen-2-yl)pyrrolidine-1-carboxamide

C12H18N2O2S — CID 110019200

IUPAC3-(1-hydroxyethyl)-N-(5-methylthiophen-2-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(C(C)O)C2)s1
InChIInChI=1S/C12H18N2O2S/c1-8-3-4-11(17-8)13-12(16)14-6-5-10(7-14)9(2)15/h3-4,9-10,15H,5-7H2,1-2H3,(H,13,16)
InChIKeyBAKQNQHNBIKQIS-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.29
Rot. Bonds2

About 3-(1-hydroxyethyl)-N-(5-methylthiophen-2-yl)pyrrolidine-1-carboxamide

3-(1-hydroxyethyl)-N-(5-methylthiophen-2-yl)pyrrolidine-1-carboxamide (PubChem CID 110019200) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-N-(5-methylthiophen-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-N-(5-methylthiophen-2-yl)pyrrolidine-1-carboxamide
PubChem CID110019200
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-(1-hydroxyethyl)-N-(5-methylthiophen-2-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(C(C)O)C2)s1
InChIInChI=1S/C12H18N2O2S/c1-8-3-4-11(17-8)13-12(16)14-6-5-10(7-14)9(2)15/h3-4,9-10,15H,5-7H2,1-2H3,(H,13,16)
InChIKeyBAKQNQHNBIKQIS-UHFFFAOYSA-N
XLogP2.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-hydroxyethyl)-N-(5-methylthiophen-2-yl)pyrrolidine-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

Related Compounds

(E)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(5-methylthiophen-2-yl)prop-2-en-1-one
CID 112627196
N-(5-methylthiophen-2-yl)-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 75374875
(3R)-3-[(1R)-1-hydroxyethyl]-N-(5-methylthieno[2,3-d][1,3]thiazol-2-yl)pyrrolidine-1-carboxamide
CID 97351400
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid
CID 112626687
(3R)-N-(2-chloro-6-methylphenyl)-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 99634516
3-(1-hydroxyethyl)-N-(2-phenylpyrimidin-5-yl)pyrrolidine-1-carboxamide
CID 136521775
3-(1-hydroxyethyl)-N-(3-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 75503696
(5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627456
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 115965924
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 112627475
(2S,3R)-3-hydroxy-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104966525
2-(2,6-dimethylanilino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110022871

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-N-(5-methylthiophen-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(1-hydroxyethyl)-N-(5-methylthiophen-2-yl)pyrrolidine-1-carboxamide (CID 110019200) is 3-(1-hydroxyethyl)-N-(5-methylthiophen-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(1-hydroxyethyl)-N-(5-methylthiophen-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(1-hydroxyethyl)-N-(5-methylthiophen-2-yl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(C(C)O)C2)s1.
What is the InChIKey of 3-(1-hydroxyethyl)-N-(5-methylthiophen-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is BAKQNQHNBIKQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8-3-4-11(17-8)13-12(16)14-6-5-10(7-14)9(2)15/h3-4,9-10,15H,5-7H2,1-2H3,(H,13,16).
What are the key properties of 3-(1-hydroxyethyl)-N-(5-methylthiophen-2-yl)pyrrolidine-1-carboxamide?
3-(1-hydroxyethyl)-N-(5-methylthiophen-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-N-(5-methylthiophen-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 110019200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).