N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide

C14H20N2O2S — CID 119327480

IUPACN-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide
SMILESCS(=O)Cc1cccc(NC(=O)C2CCCNC2)c1
InChIInChI=1S/C14H20N2O2S/c1-19(18)10-11-4-2-6-13(8-11)16-14(17)12-5-3-7-15-9-12/h2,4,6,8,12,15H,3,5,7,9-10H2,1H3,(H,16,17)
InChIKeyHTXLTNZHCDXQRL-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.50
Rot. Bonds4

About N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide

N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide (PubChem CID 119327480) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide
PubChem CID119327480
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide
SMILESCS(=O)Cc1cccc(NC(=O)C2CCCNC2)c1
InChIInChI=1S/C14H20N2O2S/c1-19(18)10-11-4-2-6-13(8-11)16-14(17)12-5-3-7-15-9-12/h2,4,6,8,12,15H,3,5,7,9-10H2,1H3,(H,16,17)
InChIKeyHTXLTNZHCDXQRL-UHFFFAOYSA-N
XLogP1.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(tert-butylsulfinylmethyl)phenyl]piperidine-3-carboxamide
CID 119327256
(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide
CID 81123295
N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119327223
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119790385
N-[3-(cyclohexylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119789972
N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306298
N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide
CID 119327470
N-[3-(2-methoxyethylsulfinylmethyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119790066
methyl 2-[[3-(piperidine-3-carbonylamino)phenyl]methylsulfanyl]acetate;hydrochloride
CID 119318862
N-[3-(benzenesulfonylmethyl)phenyl]piperidine-3-carboxamide
CID 119320769

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide (CID 119327480) is N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide is CS(=O)Cc1cccc(NC(=O)C2CCCNC2)c1.
What is the InChIKey of N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is HTXLTNZHCDXQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-19(18)10-11-4-2-6-13(8-11)16-14(17)12-5-3-7-15-9-12/h2,4,6,8,12,15H,3,5,7,9-10H2,1H3,(H,16,17).
What are the key properties of N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide?
N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119327480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).