1-[[cyclohexyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol

C13H28N2O3S — CID 79386971

IUPAC1-[[cyclohexyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H28N2O3S/c1-5-15(11-13(2,3)16)19(17,18)14(4)12-9-7-6-8-10-12/h12,16H,5-11H2,1-4H3
InChIKeyQOZIAXAUDPVSEE-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.59
Rot. Bonds6

About 1-[[cyclohexyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol

1-[[cyclohexyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol (PubChem CID 79386971) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-[[cyclohexyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[cyclohexyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol
PubChem CID79386971
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name1-[[cyclohexyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)S(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H28N2O3S/c1-5-15(11-13(2,3)16)19(17,18)14(4)12-9-7-6-8-10-12/h12,16H,5-11H2,1-4H3
InChIKeyQOZIAXAUDPVSEE-UHFFFAOYSA-N
XLogP1.59
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[cyclohexyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[cyclohexyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol (CID 79386971) is 1-[[cyclohexyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[cyclohexyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[cyclohexyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)S(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of 1-[[cyclohexyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol?
The InChIKey is QOZIAXAUDPVSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-5-15(11-13(2,3)16)19(17,18)14(4)12-9-7-6-8-10-12/h12,16H,5-11H2,1-4H3.
What are the key properties of 1-[[cyclohexyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol?
1-[[cyclohexyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol has a molecular weight of 292.44 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclohexyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79386971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).