N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide

C14H20N2O3S — CID 43703422

IUPACN-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)C1CCCCN1
InChIInChI=1S/C14H20N2O3S/c1-10-6-7-11(20(2,18)19)9-13(10)16-14(17)12-5-3-4-8-15-12/h6-7,9,12,15H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyMMGWRMNGTTYLTI-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.48
Rot. Bonds3

About N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide

N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide (PubChem CID 43703422) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide
PubChem CID43703422
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)C1CCCCN1
InChIInChI=1S/C14H20N2O3S/c1-10-6-7-11(20(2,18)19)9-13(10)16-14(17)12-5-3-4-8-15-12/h6-7,9,12,15H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyMMGWRMNGTTYLTI-UHFFFAOYSA-N
XLogP1.48
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 104912791
N-(2-hydroxy-5-methylsulfonylphenyl)azepane-2-carboxamide
CID 81421925
(2R)-N-(2-chloro-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 104912877
(2R)-N-(2-hydroxy-5-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 104901321
(2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119674019
N-(5-chloro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119264186
N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide
CID 43703421
N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide
CID 103586007
(2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide
CID 106954490
N-(2,3,6-trimethylphenyl)piperidine-2-carboxamide
CID 155036949
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
(2R)-N-(2-methoxy-5-sulfamoylphenyl)piperidine-2-carboxamide
CID 104913098

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide?
The IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide (CID 43703422) is N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide?
The canonical SMILES for N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)C1CCCCN1.
What is the InChIKey of N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide?
The InChIKey is MMGWRMNGTTYLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-6-7-11(20(2,18)19)9-13(10)16-14(17)12-5-3-4-8-15-12/h6-7,9,12,15H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide?
N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 43703422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).