1-[bis(2-methylpropyl)sulfamoyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide

C21H41N3O3S — CID 3331250

IUPAC1-[bis(2-methylpropyl)sulfamoyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1
InChIInChI=1S/C21H41N3O3S/c1-16(2)14-24(15-17(3)4)28(26,27)23-12-10-19(11-13-23)21(25)22-20-9-7-6-8-18(20)5/h16-20H,6-15H2,1-5H3,(H,22,25)
InChIKeyIKPRCUKMFKUIDQ-UHFFFAOYSA-N
MW415.64 g/mol
LogP3.25
Rot. Bonds8

About 1-[bis(2-methylpropyl)sulfamoyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide

1-[bis(2-methylpropyl)sulfamoyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide (PubChem CID 3331250) has the molecular formula C21H41N3O3S and a molecular weight of 415.64 g/mol. Its IUPAC name is 1-[bis(2-methylpropyl)sulfamoyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[bis(2-methylpropyl)sulfamoyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide
PubChem CID3331250
Molecular FormulaC21H41N3O3S
Molecular Weight415.64 g/mol
Exact Mass415.29
IUPAC Name1-[bis(2-methylpropyl)sulfamoyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1
InChIInChI=1S/C21H41N3O3S/c1-16(2)14-24(15-17(3)4)28(26,27)23-12-10-19(11-13-23)21(25)22-20-9-7-6-8-18(20)5/h16-20H,6-15H2,1-5H3,(H,22,25)
InChIKeyIKPRCUKMFKUIDQ-UHFFFAOYSA-N
XLogP3.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.64
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methylpropyl)sulfamoyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide?
The IUPAC name of 1-[bis(2-methylpropyl)sulfamoyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide (CID 3331250) is 1-[bis(2-methylpropyl)sulfamoyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[bis(2-methylpropyl)sulfamoyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[bis(2-methylpropyl)sulfamoyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide is CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NC2CCCCC2C)CC1.
What is the InChIKey of 1-[bis(2-methylpropyl)sulfamoyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide?
The InChIKey is IKPRCUKMFKUIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3O3S/c1-16(2)14-24(15-17(3)4)28(26,27)23-12-10-19(11-13-23)21(25)22-20-9-7-6-8-18(20)5/h16-20H,6-15H2,1-5H3,(H,22,25).
What are the key properties of 1-[bis(2-methylpropyl)sulfamoyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide?
1-[bis(2-methylpropyl)sulfamoyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide has a molecular weight of 415.64 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methylpropyl)sulfamoyl]-N-(2-methylcyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 3331250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).