2-phenylsulfanylpiperidine-1-carboxamide;hydrochloride

C12H17ClN2OS — CID 140622707

IUPAC2-phenylsulfanylpiperidine-1-carboxamide;hydrochloride
SMILESCl.NC(=O)N1CCCCC1Sc1ccccc1
InChIInChI=1S/C12H16N2OS.ClH/c13-12(15)14-9-5-4-8-11(14)16-10-6-2-1-3-7-10;/h1-3,6-7,11H,4-5,8-9H2,(H2,13,15);1H
InChIKeyRZXABPWRZCNQJE-UHFFFAOYSA-N
MW272.80 g/mol
LogP3.09
Rot. Bonds2

About 2-phenylsulfanylpiperidine-1-carboxamide;hydrochloride

2-phenylsulfanylpiperidine-1-carboxamide;hydrochloride (PubChem CID 140622707) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 2-phenylsulfanylpiperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-phenylsulfanylpiperidine-1-carboxamide;hydrochloride
PubChem CID140622707
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name2-phenylsulfanylpiperidine-1-carboxamide;hydrochloride
SMILESCl.NC(=O)N1CCCCC1Sc1ccccc1
InChIInChI=1S/C12H16N2OS.ClH/c13-12(15)14-9-5-4-8-11(14)16-10-6-2-1-3-7-10;/h1-3,6-7,11H,4-5,8-9H2,(H2,13,15);1H
InChIKeyRZXABPWRZCNQJE-UHFFFAOYSA-N
XLogP3.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanylpiperidine-1-carboxamide;hydrochloride?
The IUPAC name of 2-phenylsulfanylpiperidine-1-carboxamide;hydrochloride (CID 140622707) is 2-phenylsulfanylpiperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-phenylsulfanylpiperidine-1-carboxamide;hydrochloride?
The canonical SMILES for 2-phenylsulfanylpiperidine-1-carboxamide;hydrochloride is Cl.NC(=O)N1CCCCC1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanylpiperidine-1-carboxamide;hydrochloride?
The InChIKey is RZXABPWRZCNQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS.ClH/c13-12(15)14-9-5-4-8-11(14)16-10-6-2-1-3-7-10;/h1-3,6-7,11H,4-5,8-9H2,(H2,13,15);1H.
What are the key properties of 2-phenylsulfanylpiperidine-1-carboxamide;hydrochloride?
2-phenylsulfanylpiperidine-1-carboxamide;hydrochloride has a molecular weight of 272.80 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanylpiperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 140622707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).