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

C12H26N2O3S — CID 65113079

IUPAC[(2-hydroxy-2-methylbutyl)sulfamoyl-methylamino]cyclohexane
SMILESCCC(C)(O)CNS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H26N2O3S/c1-4-12(2,15)10-13-18(16,17)14(3)11-8-6-5-7-9-11/h11,13,15H,4-10H2,1-3H3
InChIKeyQSOQDQMHMAMJHT-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.25
Rot. Bonds6

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

[(2-hydroxy-2-methylbutyl)sulfamoyl-methylamino]cyclohexane (PubChem CID 65113079) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is [(2-hydroxy-2-methylbutyl)sulfamoyl-methylamino]cyclohexane.

Molecular Properties

Compound Name[(2-hydroxy-2-methylbutyl)sulfamoyl-methylamino]cyclohexane
PubChem CID65113079
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name[(2-hydroxy-2-methylbutyl)sulfamoyl-methylamino]cyclohexane
SMILESCCC(C)(O)CNS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C12H26N2O3S/c1-4-12(2,15)10-13-18(16,17)14(3)11-8-6-5-7-9-11/h11,13,15H,4-10H2,1-3H3
InChIKeyQSOQDQMHMAMJHT-UHFFFAOYSA-N
XLogP1.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2-hydroxy-2-methylbutyl)sulfamoyl-methylamino]cyclohexane?
The IUPAC name of [(2-hydroxy-2-methylbutyl)sulfamoyl-methylamino]cyclohexane (CID 65113079) is [(2-hydroxy-2-methylbutyl)sulfamoyl-methylamino]cyclohexane.
What is the SMILES notation for [(2-hydroxy-2-methylbutyl)sulfamoyl-methylamino]cyclohexane?
The canonical SMILES for [(2-hydroxy-2-methylbutyl)sulfamoyl-methylamino]cyclohexane is CCC(C)(O)CNS(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of [(2-hydroxy-2-methylbutyl)sulfamoyl-methylamino]cyclohexane?
The InChIKey is QSOQDQMHMAMJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-4-12(2,15)10-13-18(16,17)14(3)11-8-6-5-7-9-11/h11,13,15H,4-10H2,1-3H3.
What are the key properties of [(2-hydroxy-2-methylbutyl)sulfamoyl-methylamino]cyclohexane?
[(2-hydroxy-2-methylbutyl)sulfamoyl-methylamino]cyclohexane has a molecular weight of 278.42 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-hydroxy-2-methylbutyl)sulfamoyl-methylamino]cyclohexane is sourced from PubChem (CID 65113079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).