N-(3-ethylsulfanylcyclopentyl)-N-methylpiperidine-2-carboxamide;hydrochloride

C14H27ClN2OS — CID 119342642

IUPACN-(3-ethylsulfanylcyclopentyl)-N-methylpiperidine-2-carboxamide;hydrochloride
SMILESCCSC1CCC(N(C)C(=O)C2CCCCN2)C1.Cl
InChIInChI=1S/C14H26N2OS.ClH/c1-3-18-12-8-7-11(10-12)16(2)14(17)13-6-4-5-9-15-13;/h11-13,15H,3-10H2,1-2H3;1H
InChIKeyHVETXJSXULKMAF-UHFFFAOYSA-N
MW306.90 g/mol
LogP2.68
Rot. Bonds4

About N-(3-ethylsulfanylcyclopentyl)-N-methylpiperidine-2-carboxamide;hydrochloride

N-(3-ethylsulfanylcyclopentyl)-N-methylpiperidine-2-carboxamide;hydrochloride (PubChem CID 119342642) has the molecular formula C14H27ClN2OS and a molecular weight of 306.90 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-N-methylpiperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-N-methylpiperidine-2-carboxamide;hydrochloride
PubChem CID119342642
Molecular FormulaC14H27ClN2OS
Molecular Weight306.90 g/mol
Exact Mass306.15
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-N-methylpiperidine-2-carboxamide;hydrochloride
SMILESCCSC1CCC(N(C)C(=O)C2CCCCN2)C1.Cl
InChIInChI=1S/C14H26N2OS.ClH/c1-3-18-12-8-7-11(10-12)16(2)14(17)13-6-4-5-9-15-13;/h11-13,15H,3-10H2,1-2H3;1H
InChIKeyHVETXJSXULKMAF-UHFFFAOYSA-N
XLogP2.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.90
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 124683336
N-(3-ethylsulfanylcyclopentyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119817015
(2S)-N-(4-ethylcyclohexyl)-N-methylpiperidine-2-carboxamide
CID 93456348
(2R,3S)-N-(3-ethylsulfanylcyclopentyl)-N,2-dimethylmorpholine-3-carboxamide
CID 120936821
(2S)-N-cyclohexyl-N-methylpyrrolidine-2-carboxamide
CID 23520170
(2S)-2-amino-N-(3-ethylsulfanylcyclopentyl)-N-methylpropanamide;hydrochloride
CID 119342646
(2R)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 125119897
N-methyl-N-(thian-4-yl)piperidine-2-carboxamide
CID 121203607
(2S)-N-methyl-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 61447107
N-methyl-N-(oxan-4-yl)piperidine-2-carboxamide
CID 43611075
N-methyl-N-(oxolan-3-yl)piperidine-2-carboxamide
CID 82738037
N-cyclobutyl-N-methylazetidine-2-carboxamide
CID 130908967

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-N-methylpiperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-N-methylpiperidine-2-carboxamide;hydrochloride (CID 119342642) is N-(3-ethylsulfanylcyclopentyl)-N-methylpiperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-N-methylpiperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-N-methylpiperidine-2-carboxamide;hydrochloride is CCSC1CCC(N(C)C(=O)C2CCCCN2)C1.Cl.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-N-methylpiperidine-2-carboxamide;hydrochloride?
The InChIKey is HVETXJSXULKMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS.ClH/c1-3-18-12-8-7-11(10-12)16(2)14(17)13-6-4-5-9-15-13;/h11-13,15H,3-10H2,1-2H3;1H.
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-N-methylpiperidine-2-carboxamide;hydrochloride?
N-(3-ethylsulfanylcyclopentyl)-N-methylpiperidine-2-carboxamide;hydrochloride has a molecular weight of 306.90 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-N-methylpiperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119342642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).