1-(dimethylsulfamoyl)-N-(3-methylbutyl)piperidine-4-carboxamide

C13H27N3O3S — CID 41454353

IUPAC1-(dimethylsulfamoyl)-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C13H27N3O3S/c1-11(2)5-8-14-13(17)12-6-9-16(10-7-12)20(18,19)15(3)4/h11-12H,5-10H2,1-4H3,(H,14,17)
InChIKeyIELZDCFBHVRNRB-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.67
Rot. Bonds6

About 1-(dimethylsulfamoyl)-N-(3-methylbutyl)piperidine-4-carboxamide

1-(dimethylsulfamoyl)-N-(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 41454353) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-N-(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-N-(3-methylbutyl)piperidine-4-carboxamide
PubChem CID41454353
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name1-(dimethylsulfamoyl)-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C13H27N3O3S/c1-11(2)5-8-14-13(17)12-6-9-16(10-7-12)20(18,19)15(3)4/h11-12H,5-10H2,1-4H3,(H,14,17)
InChIKeyIELZDCFBHVRNRB-UHFFFAOYSA-N
XLogP0.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-N-(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-(dimethylsulfamoyl)-N-(3-methylbutyl)piperidine-4-carboxamide (CID 41454353) is 1-(dimethylsulfamoyl)-N-(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(dimethylsulfamoyl)-N-(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(dimethylsulfamoyl)-N-(3-methylbutyl)piperidine-4-carboxamide is CC(C)CCNC(=O)C1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 1-(dimethylsulfamoyl)-N-(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is IELZDCFBHVRNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-11(2)5-8-14-13(17)12-6-9-16(10-7-12)20(18,19)15(3)4/h11-12H,5-10H2,1-4H3,(H,14,17).
What are the key properties of 1-(dimethylsulfamoyl)-N-(3-methylbutyl)piperidine-4-carboxamide?
1-(dimethylsulfamoyl)-N-(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 305.44 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-N-(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 41454353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).