[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane

C13H28N2O3S — CID 61247247

IUPAC[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane
SMILESCC(C)CC(CO)NS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H28N2O3S/c1-11(2)9-12(10-16)14-19(17,18)15(3)13-7-5-4-6-8-13/h11-14,16H,4-10H2,1-3H3
InChIKeyWGUWTAIFLPSHJG-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.49
Rot. Bonds7

About [(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane

[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane (PubChem CID 61247247) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is [(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane.

Molecular Properties

Compound Name[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane
PubChem CID61247247
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane
SMILESCC(C)CC(CO)NS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H28N2O3S/c1-11(2)9-12(10-16)14-19(17,18)15(3)13-7-5-4-6-8-13/h11-14,16H,4-10H2,1-3H3
InChIKeyWGUWTAIFLPSHJG-UHFFFAOYSA-N
XLogP1.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclohexyl(methyl)sulfamoyl]amino]-N,N,4-trimethylpentanamide
CID 47034956
[(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane
CID 43606374
2-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methylpentanoic acid
CID 43172836
[3-aminobutylsulfamoyl(methyl)amino]cyclohexane
CID 63253809
[5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane
CID 107319547
(2R)-2-[[cyclohexyl(methyl)sulfamoyl]amino]pentanoic acid
CID 93252484
trans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane
CID 94415076
2-[1-[[cyclopentyl(methyl)sulfamoyl]amino]-2-hydroxyethyl]pyridine
CID 136573543
2-(cyclobutylmethylamino)-4-methylpentan-1-ol
CID 65458956
N-(1-hydroxy-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 62588514
[2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane
CID 47034025
[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 113282568

Frequently Asked Questions

What is the IUPAC name of [(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane?
The IUPAC name of [(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane (CID 61247247) is [(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane.
What is the SMILES notation for [(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane?
The canonical SMILES for [(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane is CC(C)CC(CO)NS(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of [(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane?
The InChIKey is WGUWTAIFLPSHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-11(2)9-12(10-16)14-19(17,18)15(3)13-7-5-4-6-8-13/h11-14,16H,4-10H2,1-3H3.
What are the key properties of [(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane?
[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane has a molecular weight of 292.44 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane is sourced from PubChem (CID 61247247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).