1-(dimethylsulfamoyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide

C13H27N3O3S — CID 56921668

IUPAC1-(dimethylsulfamoyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C13H27N3O3S/c1-6-13(2,3)14-12(17)11-7-9-16(10-8-11)20(18,19)15(4)5/h11H,6-10H2,1-5H3,(H,14,17)
InChIKeyMTASDIQJRTWQMT-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.81
Rot. Bonds5

About 1-(dimethylsulfamoyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide

1-(dimethylsulfamoyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide (PubChem CID 56921668) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
PubChem CID56921668
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name1-(dimethylsulfamoyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCCC(C)(C)NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C13H27N3O3S/c1-6-13(2,3)14-12(17)11-7-9-16(10-8-11)20(18,19)15(4)5/h11H,6-10H2,1-5H3,(H,14,17)
InChIKeyMTASDIQJRTWQMT-UHFFFAOYSA-N
XLogP0.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 1455647
1-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 131955942
N-[1-(dimethylsulfamoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 110823128
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 98112728
1-(dimethylsulfamoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 41454669
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 131893952
1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide
CID 6472564
1-ethylsulfonyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
CID 103891036
N-(1-adamantyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 41466824
[1-(dimethylsulfamoyl)piperidin-4-yl]carbamic acid
CID 66819444
N-[[4-(diethylamino)phenyl]methyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 73253676
1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 99951546

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(dimethylsulfamoyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide (CID 56921668) is 1-(dimethylsulfamoyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(dimethylsulfamoyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(dimethylsulfamoyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide is CCC(C)(C)NC(=O)C1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 1-(dimethylsulfamoyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide?
The InChIKey is MTASDIQJRTWQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-6-13(2,3)14-12(17)11-7-9-16(10-8-11)20(18,19)15(4)5/h11H,6-10H2,1-5H3,(H,14,17).
What are the key properties of 1-(dimethylsulfamoyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide?
1-(dimethylsulfamoyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide has a molecular weight of 305.44 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 56921668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).