2-(cyclohexylmethylsulfonylamino)-3-methylpentanamide

C13H26N2O3S — CID 56791547

IUPAC2-(cyclohexylmethylsulfonylamino)-3-methylpentanamide
SMILESCCC(C)C(NS(=O)(=O)CC1CCCCC1)C(N)=O
InChIInChI=1S/C13H26N2O3S/c1-3-10(2)12(13(14)16)15-19(17,18)9-11-7-5-4-6-8-11/h10-12,15H,3-9H2,1-2H3,(H2,14,16)
InChIKeyWKKNJFFQFDJYLL-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.39
Rot. Bonds7

About 2-(cyclohexylmethylsulfonylamino)-3-methylpentanamide

2-(cyclohexylmethylsulfonylamino)-3-methylpentanamide (PubChem CID 56791547) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(cyclohexylmethylsulfonylamino)-3-methylpentanamide.

Molecular Properties

Compound Name2-(cyclohexylmethylsulfonylamino)-3-methylpentanamide
PubChem CID56791547
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name2-(cyclohexylmethylsulfonylamino)-3-methylpentanamide
SMILESCCC(C)C(NS(=O)(=O)CC1CCCCC1)C(N)=O
InChIInChI=1S/C13H26N2O3S/c1-3-10(2)12(13(14)16)15-19(17,18)9-11-7-5-4-6-8-11/h10-12,15H,3-9H2,1-2H3,(H2,14,16)
InChIKeyWKKNJFFQFDJYLL-UHFFFAOYSA-N
XLogP1.39
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylsulfonylamino)-3-methylpentanamide?
The IUPAC name of 2-(cyclohexylmethylsulfonylamino)-3-methylpentanamide (CID 56791547) is 2-(cyclohexylmethylsulfonylamino)-3-methylpentanamide.
What is the SMILES notation for 2-(cyclohexylmethylsulfonylamino)-3-methylpentanamide?
The canonical SMILES for 2-(cyclohexylmethylsulfonylamino)-3-methylpentanamide is CCC(C)C(NS(=O)(=O)CC1CCCCC1)C(N)=O.
What is the InChIKey of 2-(cyclohexylmethylsulfonylamino)-3-methylpentanamide?
The InChIKey is WKKNJFFQFDJYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-3-10(2)12(13(14)16)15-19(17,18)9-11-7-5-4-6-8-11/h10-12,15H,3-9H2,1-2H3,(H2,14,16).
What are the key properties of 2-(cyclohexylmethylsulfonylamino)-3-methylpentanamide?
2-(cyclohexylmethylsulfonylamino)-3-methylpentanamide has a molecular weight of 290.43 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylsulfonylamino)-3-methylpentanamide is sourced from PubChem (CID 56791547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).