N-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide

C16H25N3O3S — CID 53283870

IUPACN-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C16H25N3O3S/c1-12-7-5-8-13(2)15(12)17-16(20)14-9-6-10-19(11-14)23(21,22)18(3)4/h5,7-8,14H,6,9-11H2,1-4H3,(H,17,20)
InChIKeyNNJVVFHDXSYLGL-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.76
Rot. Bonds4

About N-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide

N-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide (PubChem CID 53283870) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
PubChem CID53283870
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C16H25N3O3S/c1-12-7-5-8-13(2)15(12)17-16(20)14-9-6-10-19(11-14)23(21,22)18(3)4/h5,7-8,14H,6,9-11H2,1-4H3,(H,17,20)
InChIKeyNNJVVFHDXSYLGL-UHFFFAOYSA-N
XLogP1.76
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(dimethylsulfamoyl)-N-(2-ethyl-6-methylphenyl)piperidine-3-carboxamide
CID 94011647
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
N-(2,6-dimethylphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 5135700
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95877697
(3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92681982
(3R)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92681981
(3S)-1-(dimethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
CID 95875644
(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 1456902
(3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 93487555
(3R)-1-(dimethylsulfamoyl)-N-[(S)-(2-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 92673525
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976117
(3R)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976116

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide (CID 53283870) is N-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide is Cc1cccc(C)c1NC(=O)C1CCCN(S(=O)(=O)N(C)C)C1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The InChIKey is NNJVVFHDXSYLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12-7-5-8-13(2)15(12)17-16(20)14-9-6-10-19(11-14)23(21,22)18(3)4/h5,7-8,14H,6,9-11H2,1-4H3,(H,17,20).
What are the key properties of N-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
N-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide is sourced from PubChem (CID 53283870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).