[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl-methylamino]cyclohexane

C13H28N2O3S — CID 103931305

IUPAC[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl-methylamino]cyclohexane
SMILESCN(C1CCCCC1)S(=O)(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C13H28N2O3S/c1-12(2,13(3,4)16)14-19(17,18)15(5)11-9-7-6-8-10-11/h11,14,16H,6-10H2,1-5H3
InChIKeyBAWSLOJQMCNOOD-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.63
Rot. Bonds5

About [(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl-methylamino]cyclohexane

[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl-methylamino]cyclohexane (PubChem CID 103931305) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is [(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl-methylamino]cyclohexane.

Molecular Properties

Compound Name[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl-methylamino]cyclohexane
PubChem CID103931305
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl-methylamino]cyclohexane
SMILESCN(C1CCCCC1)S(=O)(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C13H28N2O3S/c1-12(2,13(3,4)16)14-19(17,18)15(5)11-9-7-6-8-10-11/h11,14,16H,6-10H2,1-5H3
InChIKeyBAWSLOJQMCNOOD-UHFFFAOYSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane
CID 103835504
trans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane
CID 94415076
[methyl-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]amino]cyclohexane
CID 103834038
3-[tert-butylsulfamoyl(methyl)amino]piperidine
CID 114805073
[2-hydroxypentylsulfamoyl(methyl)amino]cyclohexane
CID 115754506
N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]acetamide
CID 47157246
[5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane
CID 107319547
2-[[cyclohexyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-1-ol
CID 113351311
2-[[cyclohexyl(methyl)sulfamoyl]amino]-N,N,4-trimethylpentanamide
CID 47034956
[[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride
CID 119985441
[2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane
CID 55100441
N-methyl-N-(methylsulfonimidoyl)cyclohexanamine
CID 164644395

Frequently Asked Questions

What is the IUPAC name of [(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl-methylamino]cyclohexane?
The IUPAC name of [(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl-methylamino]cyclohexane (CID 103931305) is [(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl-methylamino]cyclohexane.
What is the SMILES notation for [(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl-methylamino]cyclohexane?
The canonical SMILES for [(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl-methylamino]cyclohexane is CN(C1CCCCC1)S(=O)(=O)NC(C)(C)C(C)(C)O.
What is the InChIKey of [(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl-methylamino]cyclohexane?
The InChIKey is BAWSLOJQMCNOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-12(2,13(3,4)16)14-19(17,18)15(5)11-9-7-6-8-10-11/h11,14,16H,6-10H2,1-5H3.
What are the key properties of [(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl-methylamino]cyclohexane?
[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl-methylamino]cyclohexane has a molecular weight of 292.44 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl-methylamino]cyclohexane is sourced from PubChem (CID 103931305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).