(2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide

C13H20N2OS — CID 103812203

IUPAC(2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide
SMILESCc1cc(CNC(=O)[C@@H]2CCCCN2)sc1C
InChIInChI=1S/C13H20N2OS/c1-9-7-11(17-10(9)2)8-15-13(16)12-5-3-4-6-14-12/h7,12,14H,3-6,8H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeySSQRQJBITVBXCJ-LBPRGKRZSA-N
MW252.38 g/mol
LogP2.12
Rot. Bonds3

About (2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide

(2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide (PubChem CID 103812203) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is (2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide
PubChem CID103812203
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name(2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide
SMILESCc1cc(CNC(=O)[C@@H]2CCCCN2)sc1C
InChIInChI=1S/C13H20N2OS/c1-9-7-11(17-10(9)2)8-15-13(16)12-5-3-4-6-14-12/h7,12,14H,3-6,8H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeySSQRQJBITVBXCJ-LBPRGKRZSA-N
XLogP2.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-3-carboxamide
CID 65241369
(2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide
CID 103812920
(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119688344
N-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide
CID 64569142
(2R)-N-[(3-methylthiophen-2-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119707041
(2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide
CID 93057625
N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 61285801
N-[(5-methylfuran-2-yl)methyl]azepane-2-carboxamide
CID 64571161
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808
(2R,5S)-5-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945358
N-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119309190
(2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119891816

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide (CID 103812203) is (2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide is Cc1cc(CNC(=O)[C@@H]2CCCCN2)sc1C.
What is the InChIKey of (2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide?
The InChIKey is SSQRQJBITVBXCJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-7-11(17-10(9)2)8-15-13(16)12-5-3-4-6-14-12/h7,12,14H,3-6,8H2,1-2H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide?
(2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 103812203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).