N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride

C19H29ClN2O2S — CID 119327223

IUPACN-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(CS(=O)C2CCCCC2)c1)C1CCCNC1
InChIInChI=1S/C19H28N2O2S.ClH/c22-19(16-7-5-11-20-13-16)21-17-8-4-6-15(12-17)14-24(23)18-9-2-1-3-10-18;/h4,6,8,12,16,18,20H,1-3,5,7,9-11,13-14H2,(H,21,22);1H
InChIKeyBDFUYHDDZMCIPW-UHFFFAOYSA-N
MW384.97 g/mol
LogP3.63
Rot. Bonds5

About N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride

N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119327223) has the molecular formula C19H29ClN2O2S and a molecular weight of 384.97 g/mol. Its IUPAC name is N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119327223
Molecular FormulaC19H29ClN2O2S
Molecular Weight384.97 g/mol
Exact Mass384.16
IUPAC NameN-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(CS(=O)C2CCCCC2)c1)C1CCCNC1
InChIInChI=1S/C19H28N2O2S.ClH/c22-19(16-7-5-11-20-13-16)21-17-8-4-6-15(12-17)14-24(23)18-9-2-1-3-10-18;/h4,6,8,12,16,18,20H,1-3,5,7,9-11,13-14H2,(H,21,22);1H
InChIKeyBDFUYHDDZMCIPW-UHFFFAOYSA-N
XLogP3.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.97
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclohexylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119789972
N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide
CID 119327208
N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide
CID 119327480
N-[3-(tert-butylsulfinylmethyl)phenyl]piperidine-3-carboxamide
CID 119327256
N-[3-(cyclohexylsulfinylmethyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119789944
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide
CID 81123295
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide
CID 119320769
N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306298
N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride
CID 119263523
N-[3-(cyclohexylsulfinylmethyl)phenyl]prop-2-enamide
CID 166405123

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride (CID 119327223) is N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(CS(=O)C2CCCCC2)c1)C1CCCNC1.
What is the InChIKey of N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is BDFUYHDDZMCIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S.ClH/c22-19(16-7-5-11-20-13-16)21-17-8-4-6-15(12-17)14-24(23)18-9-2-1-3-10-18;/h4,6,8,12,16,18,20H,1-3,5,7,9-11,13-14H2,(H,21,22);1H.
What are the key properties of N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride?
N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 384.97 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119327223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).