N-(1-amino-4-methylpentan-2-yl)-1-cyclohexylmethanesulfonamide

C13H28N2O2S — CID 63765442

IUPACN-(1-amino-4-methylpentan-2-yl)-1-cyclohexylmethanesulfonamide
SMILESCC(C)CC(CN)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H28N2O2S/c1-11(2)8-13(9-14)15-18(16,17)10-12-6-4-3-5-7-12/h11-13,15H,3-10,14H2,1-2H3
InChIKeyIYCUMZQZKPZJOA-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.86
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-1-cyclohexylmethanesulfonamide

N-(1-amino-4-methylpentan-2-yl)-1-cyclohexylmethanesulfonamide (PubChem CID 63765442) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-1-cyclohexylmethanesulfonamide
PubChem CID63765442
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-1-cyclohexylmethanesulfonamide
SMILESCC(C)CC(CN)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H28N2O2S/c1-11(2)8-13(9-14)15-18(16,17)10-12-6-4-3-5-7-12/h11-13,15H,3-10,14H2,1-2H3
InChIKeyIYCUMZQZKPZJOA-UHFFFAOYSA-N
XLogP1.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-amino-4,4-dimethylpentan-3-yl)-1-cyclohexylmethanesulfonamide
CID 106357475
N-(1-amino-4-methylpentan-2-yl)-2-cyclopentylacetamide
CID 63753245
N-(4-aminobutan-2-yl)-1-cyclopropylmethanesulfonamide
CID 64990284
N-(2-aminocyclohexyl)-1-cycloheptylmethanesulfonamide
CID 59537369
N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 63755259
N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride
CID 119260890
N-[2-(aminomethyl)cyclopentyl]-1-cyclohexylmethanesulfonamide
CID 62955693
1-cyclohexyl-N-(1-pyrrolidin-3-ylethyl)methanesulfonamide
CID 103976990
N-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride
CID 119983116
(2S)-2-(cyclohexylmethylsulfonylamino)-3,3-dimethylbutanoic acid
CID 61454161

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-cyclohexylmethanesulfonamide (CID 63765442) is N-(1-amino-4-methylpentan-2-yl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-1-cyclohexylmethanesulfonamide is CC(C)CC(CN)NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-1-cyclohexylmethanesulfonamide?
The InChIKey is IYCUMZQZKPZJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-11(2)8-13(9-14)15-18(16,17)10-12-6-4-3-5-7-12/h11-13,15H,3-10,14H2,1-2H3.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-1-cyclohexylmethanesulfonamide?
N-(1-amino-4-methylpentan-2-yl)-1-cyclohexylmethanesulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 63765442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).