[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane

C14H30N2O3S — CID 103835504

IUPAC[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane
SMILESCN(C1CCCCC1)S(=O)(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C14H30N2O3S/c1-14(2,3)10-13(17)11-15-20(18,19)16(4)12-8-6-5-7-9-12/h12-13,15,17H,5-11H2,1-4H3
InChIKeyITRKYEILXQCCEC-UHFFFAOYSA-N
MW306.47 g/mol
LogP1.88
Rot. Bonds6

About [(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane

[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane (PubChem CID 103835504) has the molecular formula C14H30N2O3S and a molecular weight of 306.47 g/mol. Its IUPAC name is [(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane.

Molecular Properties

Compound Name[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane
PubChem CID103835504
Molecular FormulaC14H30N2O3S
Molecular Weight306.47 g/mol
Exact Mass306.20
IUPAC Name[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane
SMILESCN(C1CCCCC1)S(=O)(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C14H30N2O3S/c1-14(2,3)10-13(17)11-15-20(18,19)16(4)12-8-6-5-7-9-12/h12-13,15,17H,5-11H2,1-4H3
InChIKeyITRKYEILXQCCEC-UHFFFAOYSA-N
XLogP1.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-hydroxypentylsulfamoyl(methyl)amino]cyclohexane
CID 115754506
[methyl-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]amino]cyclohexane
CID 103834038
[methyl-[[2-methyl-3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 113282568
[2-(diethylamino)propylsulfamoyl-methylamino]cyclohexane
CID 47034025
[(2-amino-4-methylpentyl)sulfamoyl-methylamino]cyclohexane
CID 43606374
[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl-methylamino]cyclohexane
CID 103931305
[[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane
CID 58826078
1-(cyclooctylamino)-4,4-dimethylpentan-2-ol
CID 103784422
[3-aminobutylsulfamoyl(methyl)amino]cyclohexane
CID 63253809
[5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane
CID 107319547
N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]acetamide
CID 47157246
1-[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl]piperidine-2-carboxylic acid
CID 107151259

Frequently Asked Questions

What is the IUPAC name of [(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane?
The IUPAC name of [(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane (CID 103835504) is [(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane.
What is the SMILES notation for [(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane?
The canonical SMILES for [(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane is CN(C1CCCCC1)S(=O)(=O)NCC(O)CC(C)(C)C.
What is the InChIKey of [(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane?
The InChIKey is ITRKYEILXQCCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3S/c1-14(2,3)10-13(17)11-15-20(18,19)16(4)12-8-6-5-7-9-12/h12-13,15,17H,5-11H2,1-4H3.
What are the key properties of [(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane?
[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane has a molecular weight of 306.47 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane is sourced from PubChem (CID 103835504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).