N-[2-(methanesulfonamido)phenyl]-2-methylpiperidine-2-carboxamide

C14H21N3O3S — CID 104596304

IUPACN-[2-(methanesulfonamido)phenyl]-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)Nc2ccccc2NS(C)(=O)=O)CCCCN1
InChIInChI=1S/C14H21N3O3S/c1-14(9-5-6-10-15-14)13(18)16-11-7-3-4-8-12(11)17-21(2,19)20/h3-4,7-8,15,17H,5-6,9-10H2,1-2H3,(H,16,18)
InChIKeyNFJZVKJZJMEVKN-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.53
Rot. Bonds4

About N-[2-(methanesulfonamido)phenyl]-2-methylpiperidine-2-carboxamide

N-[2-(methanesulfonamido)phenyl]-2-methylpiperidine-2-carboxamide (PubChem CID 104596304) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)phenyl]-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)phenyl]-2-methylpiperidine-2-carboxamide
PubChem CID104596304
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[2-(methanesulfonamido)phenyl]-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)Nc2ccccc2NS(C)(=O)=O)CCCCN1
InChIInChI=1S/C14H21N3O3S/c1-14(9-5-6-10-15-14)13(18)16-11-7-3-4-8-12(11)17-21(2,19)20/h3-4,7-8,15,17H,5-6,9-10H2,1-2H3,(H,16,18)
InChIKeyNFJZVKJZJMEVKN-UHFFFAOYSA-N
XLogP1.53
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-naphthalen-1-ylpiperidine-2-carboxamide
CID 104596031
N-(2,3-dimethylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368535
N-(3-carbamoyl-2-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 104596248
N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368554
N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 107528549
N-(4-ethylsulfonylphenyl)-2-methylpiperidine-2-carboxamide
CID 104596237
2-methyl-N-(4-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 113368673
N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide
CID 113430886
2-methyl-N-(3-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 104596093
4-bromo-2-[(2-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 104596607
N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide
CID 113368586
N-[2-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 43710867

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)phenyl]-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)phenyl]-2-methylpiperidine-2-carboxamide (CID 104596304) is N-[2-(methanesulfonamido)phenyl]-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)phenyl]-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)phenyl]-2-methylpiperidine-2-carboxamide is CC1(C(=O)Nc2ccccc2NS(C)(=O)=O)CCCCN1.
What is the InChIKey of N-[2-(methanesulfonamido)phenyl]-2-methylpiperidine-2-carboxamide?
The InChIKey is NFJZVKJZJMEVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-14(9-5-6-10-15-14)13(18)16-11-7-3-4-8-12(11)17-21(2,19)20/h3-4,7-8,15,17H,5-6,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(methanesulfonamido)phenyl]-2-methylpiperidine-2-carboxamide?
N-[2-(methanesulfonamido)phenyl]-2-methylpiperidine-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)phenyl]-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104596304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).