1-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol

C10H24N2O3S — CID 79387322

IUPAC1-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol
SMILESCCCCN(C)S(=O)(=O)N(C)CC(C)(C)O
InChIInChI=1S/C10H24N2O3S/c1-6-7-8-11(4)16(14,15)12(5)9-10(2,3)13/h13H,6-9H2,1-5H3
InChIKeyLTJYAIPZPAQXBA-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.67
Rot. Bonds7

About 1-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol

1-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol (PubChem CID 79387322) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol
PubChem CID79387322
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC Name1-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol
SMILESCCCCN(C)S(=O)(=O)N(C)CC(C)(C)O
InChIInChI=1S/C10H24N2O3S/c1-6-7-8-11(4)16(14,15)12(5)9-10(2,3)13/h13H,6-9H2,1-5H3
InChIKeyLTJYAIPZPAQXBA-UHFFFAOYSA-N
XLogP0.67
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol (CID 79387322) is 1-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol is CCCCN(C)S(=O)(=O)N(C)CC(C)(C)O.
What is the InChIKey of 1-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is LTJYAIPZPAQXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-6-7-8-11(4)16(14,15)12(5)9-10(2,3)13/h13H,6-9H2,1-5H3.
What are the key properties of 1-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol?
1-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 252.38 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[butyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79387322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).