(3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide

C12H18N2O2S — CID 106435475

IUPAC(3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCC(O)c1ccsc1)[C@H]1CCCNC1
InChIInChI=1S/C12H18N2O2S/c15-11(10-3-5-17-8-10)7-14-12(16)9-2-1-4-13-6-9/h3,5,8-9,11,13,15H,1-2,4,6-7H2,(H,14,16)/t9-,11?/m0/s1
InChIKeyRGKSTSOONNNJJZ-FTNKSUMCSA-N
MW254.35 g/mol
LogP0.90
Rot. Bonds4

About (3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide

(3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide (PubChem CID 106435475) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is (3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide
PubChem CID106435475
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name(3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCC(O)c1ccsc1)[C@H]1CCCNC1
InChIInChI=1S/C12H18N2O2S/c15-11(10-3-5-17-8-10)7-14-12(16)9-2-1-4-13-6-9/h3,5,8-9,11,13,15H,1-2,4,6-7H2,(H,14,16)/t9-,11?/m0/s1
InChIKeyRGKSTSOONNNJJZ-FTNKSUMCSA-N
XLogP0.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-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

N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 119328668
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 154759784
(3R)-N-(2-thiophen-3-ylethyl)piperidine-3-carboxamide
CID 81140487
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 124589589
N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide;hydrochloride
CID 119287223
N-(2-hydroxy-2-thiophen-3-ylethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106436158
N-(2-cyclopropyl-2-hydroxyethyl)piperidine-3-carboxamide
CID 63297016
5-[(2-hydroxy-2-thiophen-3-ylethyl)carbamoyl]oxolane-2-carboxylic acid
CID 114188481
N-(2-hydroxy-3-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119317160
trans-(1S,2S)-N-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 97085312
2-hydroxy-3-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81134818
N-(2,3-dihydroxypropyl)piperidine-3-carboxamide
CID 66169749

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide (CID 106435475) is (3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide is O=C(NCC(O)c1ccsc1)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide?
The InChIKey is RGKSTSOONNNJJZ-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-11(10-3-5-17-8-10)7-14-12(16)9-2-1-4-13-6-9/h3,5,8-9,11,13,15H,1-2,4,6-7H2,(H,14,16)/t9-,11?/m0/s1.
What are the key properties of (3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide?
(3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-hydroxy-2-thiophen-3-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 106435475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).