1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxy-2-methylpropane

C9H22N2O3S — CID 65034669

IUPAC1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxy-2-methylpropane
SMILESCCCCN(C)S(=O)(=O)NCC(C)CO
InChIInChI=1S/C9H22N2O3S/c1-4-5-6-11(3)15(13,14)10-7-9(2)8-12/h9-10,12H,4-8H2,1-3H3
InChIKeyBOHDNTXWBJOSLG-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.18
Rot. Bonds8

About 1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxy-2-methylpropane

1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxy-2-methylpropane (PubChem CID 65034669) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxy-2-methylpropane.

Molecular Properties

Compound Name1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxy-2-methylpropane
PubChem CID65034669
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxy-2-methylpropane
SMILESCCCCN(C)S(=O)(=O)NCC(C)CO
InChIInChI=1S/C9H22N2O3S/c1-4-5-6-11(3)15(13,14)10-7-9(2)8-12/h9-10,12H,4-8H2,1-3H3
InChIKeyBOHDNTXWBJOSLG-UHFFFAOYSA-N
XLogP0.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxy-2-methylpropane?
The IUPAC name of 1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxy-2-methylpropane (CID 65034669) is 1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxy-2-methylpropane.
What is the SMILES notation for 1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxy-2-methylpropane?
The canonical SMILES for 1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxy-2-methylpropane is CCCCN(C)S(=O)(=O)NCC(C)CO.
What is the InChIKey of 1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxy-2-methylpropane?
The InChIKey is BOHDNTXWBJOSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-4-5-6-11(3)15(13,14)10-7-9(2)8-12/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxy-2-methylpropane?
1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxy-2-methylpropane has a molecular weight of 238.35 g/mol, XLogP of 0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[butyl(methyl)sulfamoyl]amino]-3-hydroxy-2-methylpropane is sourced from PubChem (CID 65034669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).