(2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide

C12H18N2O2S — CID 124516580

IUPAC(2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
SMILESCN(CCc1cccs1)C(=O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C12H18N2O2S/c1-14(5-4-10-3-2-6-17-10)12(16)11-7-9(15)8-13-11/h2-3,6,9,11,13,15H,4-5,7-8H2,1H3/t9-,11-/m0/s1
InChIKeyCQPWACNZRZYQJK-ONGXEEELSA-N
MW254.35 g/mol
LogP0.47
Rot. Bonds4

About (2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide

(2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 124516580) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
PubChem CID124516580
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name(2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
SMILESCN(CCc1cccs1)C(=O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C12H18N2O2S/c1-14(5-4-10-3-2-6-17-10)12(16)11-7-9(15)8-13-11/h2-3,6,9,11,13,15H,4-5,7-8H2,1H3/t9-,11-/m0/s1
InChIKeyCQPWACNZRZYQJK-ONGXEEELSA-N
XLogP0.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 79494578
4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide
CID 54943679
N-methyl-N-(2-thiophen-2-ylethyl)cyclopentanecarboxamide
CID 110733430
(2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 120636609
N-[(4-bromothiophen-2-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54872212
4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 60936615
3-amino-N-methyl-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119807064
N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54869026
(2R,4S)-4-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 125153912
N-[(4-tert-butylphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 60936759
N-methyl-2-pyrrolidin-3-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 79493806
N-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119267121

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide (CID 124516580) is (2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide is CN(CCc1cccs1)C(=O)[C@@H]1C[C@H](O)CN1.
What is the InChIKey of (2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is CQPWACNZRZYQJK-ONGXEEELSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-14(5-4-10-3-2-6-17-10)12(16)11-7-9(15)8-13-11/h2-3,6,9,11,13,15H,4-5,7-8H2,1H3/t9-,11-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 124516580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).