N-[2-methyl-3-(propylsulfonylamino)phenyl]piperidine-4-carboxamide

C16H25N3O3S — CID 119301618

IUPACN-[2-methyl-3-(propylsulfonylamino)phenyl]piperidine-4-carboxamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)C2CCNCC2)c1C
InChIInChI=1S/C16H25N3O3S/c1-3-11-23(21,22)19-15-6-4-5-14(12(15)2)18-16(20)13-7-9-17-10-8-13/h4-6,13,17,19H,3,7-11H2,1-2H3,(H,18,20)
InChIKeyNFXRSYQNBPBUGU-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.08
Rot. Bonds6

About N-[2-methyl-3-(propylsulfonylamino)phenyl]piperidine-4-carboxamide

N-[2-methyl-3-(propylsulfonylamino)phenyl]piperidine-4-carboxamide (PubChem CID 119301618) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[2-methyl-3-(propylsulfonylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(propylsulfonylamino)phenyl]piperidine-4-carboxamide
PubChem CID119301618
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[2-methyl-3-(propylsulfonylamino)phenyl]piperidine-4-carboxamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)C2CCNCC2)c1C
InChIInChI=1S/C16H25N3O3S/c1-3-11-23(21,22)19-15-6-4-5-14(12(15)2)18-16(20)13-7-9-17-10-8-13/h4-6,13,17,19H,3,7-11H2,1-2H3,(H,18,20)
InChIKeyNFXRSYQNBPBUGU-UHFFFAOYSA-N
XLogP2.08
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898
N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119281807
N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006819
1-benzyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 47078786
2-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]acetamide
CID 47078779
N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]piperidine-4-carboxamide
CID 119333778
2-methyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]pent-2-enamide
CID 72685990
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
N-naphthalen-1-ylpiperidine-4-carboxamide
CID 18073022
(E)-3-(4-fluorophenyl)-N-[2-methyl-3-(propylsulfonylamino)phenyl]prop-2-enamide
CID 47078775
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
CID 119315211
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(propylsulfonylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-methyl-3-(propylsulfonylamino)phenyl]piperidine-4-carboxamide (CID 119301618) is N-[2-methyl-3-(propylsulfonylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(propylsulfonylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-methyl-3-(propylsulfonylamino)phenyl]piperidine-4-carboxamide is CCCS(=O)(=O)Nc1cccc(NC(=O)C2CCNCC2)c1C.
What is the InChIKey of N-[2-methyl-3-(propylsulfonylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is NFXRSYQNBPBUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-11-23(21,22)19-15-6-4-5-14(12(15)2)18-16(20)13-7-9-17-10-8-13/h4-6,13,17,19H,3,7-11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-methyl-3-(propylsulfonylamino)phenyl]piperidine-4-carboxamide?
N-[2-methyl-3-(propylsulfonylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(propylsulfonylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119301618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).