[5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane

C12H26N2O3S — CID 107319547

IUPAC[5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane
SMILESCN(C1CCCCC1)S(=O)(=O)NCCCCCO
InChIInChI=1S/C12H26N2O3S/c1-14(12-8-4-2-5-9-12)18(16,17)13-10-6-3-7-11-15/h12-13,15H,2-11H2,1H3
InChIKeyBUFXEYLHDOQMFU-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.25
Rot. Bonds8

About [5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane

[5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane (PubChem CID 107319547) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is [5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane.

Molecular Properties

Compound Name[5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane
PubChem CID107319547
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name[5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane
SMILESCN(C1CCCCC1)S(=O)(=O)NCCCCCO
InChIInChI=1S/C12H26N2O3S/c1-14(12-8-4-2-5-9-12)18(16,17)13-10-6-3-7-11-15/h12-13,15H,2-11H2,1H3
InChIKeyBUFXEYLHDOQMFU-UHFFFAOYSA-N
XLogP1.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]acetamide
CID 47157246
[2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane
CID 55100441
[3-aminobutylsulfamoyl(methyl)amino]cyclohexane
CID 63253809
N-(4-hydroxybutyl)cyclohexanesulfonamide
CID 106843941
[methyl-[(3,3,3-trifluoro-2-hydroxypropyl)sulfamoyl]amino]cyclohexane
CID 103834038
1-(diethylsulfamoylamino)-5-hydroxypentane
CID 107319491
10-hydroxydecylsulfamic acid
CID 151793979
[2-hydroxypentylsulfamoyl(methyl)amino]cyclohexane
CID 115754506
1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]-1-hydroxy-4-methylcyclohexane
CID 65121626
[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl-methylamino]cyclohexane
CID 61247247
4-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]-1,2,3,6-tetrahydropyridine
CID 107487788
[(2-hydroxy-4,4-dimethylpentyl)sulfamoyl-methylamino]cyclohexane
CID 103835504

Frequently Asked Questions

What is the IUPAC name of [5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane?
The IUPAC name of [5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane (CID 107319547) is [5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane.
What is the SMILES notation for [5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane?
The canonical SMILES for [5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane is CN(C1CCCCC1)S(=O)(=O)NCCCCCO.
What is the InChIKey of [5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane?
The InChIKey is BUFXEYLHDOQMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-14(12-8-4-2-5-9-12)18(16,17)13-10-6-3-7-11-15/h12-13,15H,2-11H2,1H3.
What are the key properties of [5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane?
[5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane has a molecular weight of 278.42 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane is sourced from PubChem (CID 107319547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).