2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide

C16H25N3O3S — CID 49262524

IUPAC2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESCNS(=O)(=O)Cc1cccc(CNC(=O)N2CCCCC2C)c1
InChIInChI=1S/C16H25N3O3S/c1-13-6-3-4-9-19(13)16(20)18-11-14-7-5-8-15(10-14)12-23(21,22)17-2/h5,7-8,10,13,17H,3-4,6,9,11-12H2,1-2H3,(H,18,20)
InChIKeyLQSZODKCOLEKCI-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.82
Rot. Bonds5

About 2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide

2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 49262524) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID49262524
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESCNS(=O)(=O)Cc1cccc(CNC(=O)N2CCCCC2C)c1
InChIInChI=1S/C16H25N3O3S/c1-13-6-3-4-9-19(13)16(20)18-11-14-7-5-8-15(10-14)12-23(21,22)17-2/h5,7-8,10,13,17H,3-4,6,9,11-12H2,1-2H3,(H,18,20)
InChIKeyLQSZODKCOLEKCI-UHFFFAOYSA-N
XLogP1.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(methylsulfamoylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 49262790
N-[(4-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 108899463
(2S)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide
CID 94031216
(2R)-2-ethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxamide
CID 94031215
(2S)-2-(difluoromethyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 138049611
N-[(2-bromophenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 108897902
1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61204446
2-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-1-carboxamide
CID 60577667
1-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
CID 55793506
(3S)-3-methyl-N-[[3-(methylsulfamoyl)phenyl]methyl]morpholine-4-carboxamide
CID 94031214
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1-propanoylpiperidine-2-carboxamide
CID 55835703
2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 47328498

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide (CID 49262524) is 2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide is CNS(=O)(=O)Cc1cccc(CNC(=O)N2CCCCC2C)c1.
What is the InChIKey of 2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is LQSZODKCOLEKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-13-6-3-4-9-19(13)16(20)18-11-14-7-5-8-15(10-14)12-23(21,22)17-2/h5,7-8,10,13,17H,3-4,6,9,11-12H2,1-2H3,(H,18,20).
What are the key properties of 2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide?
2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 49262524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).