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

C11H24N2O3S — CID 43501811

IUPAC[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane
SMILESCN(C1CCCCC1)S(=O)(=O)NC(C)(C)CO
InChIInChI=1S/C11H24N2O3S/c1-11(2,9-14)12-17(15,16)13(3)10-7-5-4-6-8-10/h10,12,14H,4-9H2,1-3H3
InChIKeyBEBLKHHDUZPPTP-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.86
Rot. Bonds5

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

[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane (PubChem CID 43501811) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is [(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane.

Molecular Properties

Compound Name[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane
PubChem CID43501811
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane
SMILESCN(C1CCCCC1)S(=O)(=O)NC(C)(C)CO
InChIInChI=1S/C11H24N2O3S/c1-11(2,9-14)12-17(15,16)13(3)10-7-5-4-6-8-10/h10,12,14H,4-9H2,1-3H3
InChIKeyBEBLKHHDUZPPTP-UHFFFAOYSA-N
XLogP0.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane?
The IUPAC name of [(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane (CID 43501811) is [(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane.
What is the SMILES notation for [(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane?
The canonical SMILES for [(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane is CN(C1CCCCC1)S(=O)(=O)NC(C)(C)CO.
What is the InChIKey of [(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane?
The InChIKey is BEBLKHHDUZPPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-11(2,9-14)12-17(15,16)13(3)10-7-5-4-6-8-10/h10,12,14H,4-9H2,1-3H3.
What are the key properties of [(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane?
[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane has a molecular weight of 264.39 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-hydroxy-2-methylpropan-2-yl)sulfamoyl-methylamino]cyclohexane is sourced from PubChem (CID 43501811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).