(2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide

C11H16N2OS — CID 61474678

IUPAC(2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccsc1)[C@@H]1CCCN1
InChIInChI=1S/C11H16N2OS/c14-11(10-2-1-5-12-10)13-6-3-9-4-7-15-8-9/h4,7-8,10,12H,1-3,5-6H2,(H,13,14)/t10-/m0/s1
InChIKeyOBVJTVPFHSVCIB-JTQLQIEISA-N
MW224.33 g/mol
LogP1.16
Rot. Bonds4

About (2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide

(2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 61474678) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is (2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide
PubChem CID61474678
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name(2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccsc1)[C@@H]1CCCN1
InChIInChI=1S/C11H16N2OS/c14-11(10-2-1-5-12-10)13-6-3-9-4-7-15-8-9/h4,7-8,10,12H,1-3,5-6H2,(H,13,14)/t10-/m0/s1
InChIKeyOBVJTVPFHSVCIB-JTQLQIEISA-N
XLogP1.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(thiophen-3-ylmethyl)piperidine-2-carboxamide chloride
CID 45108547
(3R)-N-(2-thiophen-3-ylethyl)piperidine-3-carboxamide
CID 81140487
2-hydroxy-N-(2-thiophen-3-ylethyl)cyclopentane-1-carboxamide
CID 110015235
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
N-(2-thiophen-3-ylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470795
N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83632123
N-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119842141
5-oxo-N-(2-thiophen-3-ylethyl)piperazine-2-carboxamide
CID 107436034
N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid
CID 103869402

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide (CID 61474678) is (2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide is O=C(NCCc1ccsc1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is OBVJTVPFHSVCIB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2OS/c14-11(10-2-1-5-12-10)13-6-3-9-4-7-15-8-9/h4,7-8,10,12H,1-3,5-6H2,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide?
(2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61474678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).