[(2-hydroxy-2-methylpentyl)sulfamoyl-methylamino]cyclohexane

C13H28N2O3S — CID 103835331

IUPAC[(2-hydroxy-2-methylpentyl)sulfamoyl-methylamino]cyclohexane
SMILESCCCC(C)(O)CNS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H28N2O3S/c1-4-10-13(2,16)11-14-19(17,18)15(3)12-8-6-5-7-9-12/h12,14,16H,4-11H2,1-3H3
InChIKeyNCTUGHNUNZZNSK-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.64
Rot. Bonds7

About [(2-hydroxy-2-methylpentyl)sulfamoyl-methylamino]cyclohexane

[(2-hydroxy-2-methylpentyl)sulfamoyl-methylamino]cyclohexane (PubChem CID 103835331) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is [(2-hydroxy-2-methylpentyl)sulfamoyl-methylamino]cyclohexane.

Molecular Properties

Compound Name[(2-hydroxy-2-methylpentyl)sulfamoyl-methylamino]cyclohexane
PubChem CID103835331
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name[(2-hydroxy-2-methylpentyl)sulfamoyl-methylamino]cyclohexane
SMILESCCCC(C)(O)CNS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H28N2O3S/c1-4-10-13(2,16)11-14-19(17,18)15(3)12-8-6-5-7-9-12/h12,14,16H,4-11H2,1-3H3
InChIKeyNCTUGHNUNZZNSK-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2-hydroxy-2-methylpentyl)sulfamoyl-methylamino]cyclohexane?
The IUPAC name of [(2-hydroxy-2-methylpentyl)sulfamoyl-methylamino]cyclohexane (CID 103835331) is [(2-hydroxy-2-methylpentyl)sulfamoyl-methylamino]cyclohexane.
What is the SMILES notation for [(2-hydroxy-2-methylpentyl)sulfamoyl-methylamino]cyclohexane?
The canonical SMILES for [(2-hydroxy-2-methylpentyl)sulfamoyl-methylamino]cyclohexane is CCCC(C)(O)CNS(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of [(2-hydroxy-2-methylpentyl)sulfamoyl-methylamino]cyclohexane?
The InChIKey is NCTUGHNUNZZNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-4-10-13(2,16)11-14-19(17,18)15(3)12-8-6-5-7-9-12/h12,14,16H,4-11H2,1-3H3.
What are the key properties of [(2-hydroxy-2-methylpentyl)sulfamoyl-methylamino]cyclohexane?
[(2-hydroxy-2-methylpentyl)sulfamoyl-methylamino]cyclohexane has a molecular weight of 292.44 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-hydroxy-2-methylpentyl)sulfamoyl-methylamino]cyclohexane is sourced from PubChem (CID 103835331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).