N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide

C14H20N2O2S — CID 119327470

IUPACN-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide
SMILESCS(=O)Cc1cccc(NC(=O)C2CCCCN2)c1
InChIInChI=1S/C14H20N2O2S/c1-19(18)10-11-5-4-6-12(9-11)16-14(17)13-7-2-3-8-15-13/h4-6,9,13,15H,2-3,7-8,10H2,1H3,(H,16,17)
InChIKeyOWUCPVKDSOAWOD-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.65
Rot. Bonds4

About N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide

N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide (PubChem CID 119327470) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide
PubChem CID119327470
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide
SMILESCS(=O)Cc1cccc(NC(=O)C2CCCCN2)c1
InChIInChI=1S/C14H20N2O2S/c1-19(18)10-11-5-4-6-12(9-11)16-14(17)13-7-2-3-8-15-13/h4-6,9,13,15H,2-3,7-8,10H2,1H3,(H,16,17)
InChIKeyOWUCPVKDSOAWOD-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(benzylsulfinylmethyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119327157
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
CID 65350284
N-[3-(hydroxymethyl)phenyl]azepane-2-carboxamide
CID 64561657
(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide
CID 103808988
N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide
CID 119327480
(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119288736
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43433017
methyl N-[3-[[(2S)-piperidine-2-carbonyl]amino]phenyl]carbamate
CID 103809256
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 43710007
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119281759
(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide (CID 119327470) is N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide is CS(=O)Cc1cccc(NC(=O)C2CCCCN2)c1.
What is the InChIKey of N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide?
The InChIKey is OWUCPVKDSOAWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-19(18)10-11-5-4-6-12(9-11)16-14(17)13-7-2-3-8-15-13/h4-6,9,13,15H,2-3,7-8,10H2,1H3,(H,16,17).
What are the key properties of N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide?
N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.65, 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-2-carboxamide is sourced from PubChem (CID 119327470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).