(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide

C12H17ClN2OS — CID 106047918

IUPAC(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)s1)[C@H]1CCCNC1
InChIInChI=1S/C12H17ClN2OS/c13-11-4-3-10(17-11)5-7-15-12(16)9-2-1-6-14-8-9/h3-4,9,14H,1-2,5-8H2,(H,15,16)/t9-/m0/s1
InChIKeyLCTDCAWZBKNOBE-VIFPVBQESA-N
MW272.80 g/mol
LogP2.06
Rot. Bonds4

About (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide

(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 106047918) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide
PubChem CID106047918
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)s1)[C@H]1CCCNC1
InChIInChI=1S/C12H17ClN2OS/c13-11-4-3-10(17-11)5-7-15-12(16)9-2-1-6-14-8-9/h3-4,9,14H,1-2,5-8H2,(H,15,16)/t9-/m0/s1
InChIKeyLCTDCAWZBKNOBE-VIFPVBQESA-N
XLogP2.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]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

3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclohexane-1-carboxamide
CID 103809468
N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119270431
N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119302304
cis-(1S,3R)-3-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114138901
N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699604
N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119296186
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
N-[2-(4-hydroxyphenyl)ethyl]piperidine-3-carboxamide
CID 61238567
(3R)-N-(2-thiophen-3-ylethyl)piperidine-3-carboxamide
CID 81140487
cis-(1S,2R)-2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106032549
(3S)-N-[(5-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81129935
N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 110482448

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide (CID 106047918) is (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide is O=C(NCCc1ccc(Cl)s1)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is LCTDCAWZBKNOBE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17ClN2OS/c13-11-4-3-10(17-11)5-7-15-12(16)9-2-1-6-14-8-9/h3-4,9,14H,1-2,5-8H2,(H,15,16)/t9-/m0/s1.
What are the key properties of (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide?
(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 272.80 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 106047918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).