N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride

C15H23ClN2OS — CID 119335458

IUPACN-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CCCCN1)Sc1ccccc1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-12(19-13-7-3-2-4-8-13)11-17-15(18)14-9-5-6-10-16-14;/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3,(H,17,18);1H
InChIKeyQEJSXANOQYKBFB-UHFFFAOYSA-N
MW314.88 g/mol
LogP2.85
Rot. Bonds5

About N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride

N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119335458) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119335458
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC NameN-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CCCCN1)Sc1ccccc1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-12(19-13-7-3-2-4-8-13)11-17-15(18)14-9-5-6-10-16-14;/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3,(H,17,18);1H
InChIKeyQEJSXANOQYKBFB-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylsulfanylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119335474
N-[2-(4-bromophenyl)sulfanylpropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119322845
N-(2-phenylsulfanylpropyl)morpholine-3-carboxamide;hydrochloride
CID 119804403
(2R)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119676963
N-(2-methoxy-2-phenylethyl)piperidine-2-carboxamide;hydrochloride
CID 119278882
(2S)-N-(2-hydroxy-2-phenylethyl)piperidine-2-carboxamide
CID 103807955
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119295521
2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913877
N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide
CID 119804444
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide
CID 119295522
N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115976802

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride (CID 119335458) is N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride is CC(CNC(=O)C1CCCCN1)Sc1ccccc1.Cl.
What is the InChIKey of N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is QEJSXANOQYKBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS.ClH/c1-12(19-13-7-3-2-4-8-13)11-17-15(18)14-9-5-6-10-16-14;/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3,(H,17,18);1H.
What are the key properties of N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride?
N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 314.88 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylpropyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119335458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).