1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide

C16H26N4O5S2 — CID 43916583

IUPAC1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
SMILESCN(c1cccc(NC(=O)C2CCCN(S(=O)(=O)N(C)C)C2)c1)S(C)(=O)=O
InChIInChI=1S/C16H26N4O5S2/c1-18(2)27(24,25)20-10-6-7-13(12-20)16(21)17-14-8-5-9-15(11-14)19(3)26(4,22)23/h5,8-9,11,13H,6-7,10,12H2,1-4H3,(H,17,21)
InChIKeyDOEITJPZNHPLGZ-UHFFFAOYSA-N
MW418.54 g/mol
LogP0.54
Rot. Bonds6

About 1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide

1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide (PubChem CID 43916583) has the molecular formula C16H26N4O5S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
PubChem CID43916583
Molecular FormulaC16H26N4O5S2
Molecular Weight418.54 g/mol
Exact Mass418.13
IUPAC Name1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
SMILESCN(c1cccc(NC(=O)C2CCCN(S(=O)(=O)N(C)C)C2)c1)S(C)(=O)=O
InChIInChI=1S/C16H26N4O5S2/c1-18(2)27(24,25)20-10-6-7-13(12-20)16(21)17-14-8-5-9-15(11-14)19(3)26(4,22)23/h5,8-9,11,13H,6-7,10,12H2,1-4H3,(H,17,21)
InChIKeyDOEITJPZNHPLGZ-UHFFFAOYSA-N
XLogP0.54
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125077648
1-(4-fluorophenyl)sulfonyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
CID 133168204
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
N-[3-[methyl(methylsulfonyl)amino]phenyl]cyclopentanecarboxamide
CID 56921673
(3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 30397988
1-[(3-chlorophenyl)methyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide
CID 43923883
(3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 93487555
N-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 53283870
N-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 43905127
N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55556995
N-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 43876123
methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate
CID 94011850

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide (CID 43916583) is 1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide is CN(c1cccc(NC(=O)C2CCCN(S(=O)(=O)N(C)C)C2)c1)S(C)(=O)=O.
What is the InChIKey of 1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide?
The InChIKey is DOEITJPZNHPLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O5S2/c1-18(2)27(24,25)20-10-6-7-13(12-20)16(21)17-14-8-5-9-15(11-14)19(3)26(4,22)23/h5,8-9,11,13H,6-7,10,12H2,1-4H3,(H,17,21).
What are the key properties of 1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide?
1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43916583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).