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

C10H24N2O3S — CID 79256341

IUPAC2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
SMILESCCCCN(C)S(=O)(=O)NC(CO)C(C)C
InChIInChI=1S/C10H24N2O3S/c1-5-6-7-12(4)16(14,15)11-10(8-13)9(2)3/h9-11,13H,5-8H2,1-4H3
InChIKeySPWASHNFOSVGMJ-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.57
Rot. Bonds8

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

2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane (PubChem CID 79256341) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane.

Molecular Properties

Compound Name2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
PubChem CID79256341
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC Name2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane
SMILESCCCCN(C)S(=O)(=O)NC(CO)C(C)C
InChIInChI=1S/C10H24N2O3S/c1-5-6-7-12(4)16(14,15)11-10(8-13)9(2)3/h9-11,13H,5-8H2,1-4H3
InChIKeySPWASHNFOSVGMJ-UHFFFAOYSA-N
XLogP0.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane?
The IUPAC name of 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane (CID 79256341) is 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane.
What is the SMILES notation for 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane?
The canonical SMILES for 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane is CCCCN(C)S(=O)(=O)NC(CO)C(C)C.
What is the InChIKey of 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane?
The InChIKey is SPWASHNFOSVGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-5-6-7-12(4)16(14,15)11-10(8-13)9(2)3/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane?
2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane has a molecular weight of 252.38 g/mol, XLogP of 0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-3-methylbutane is sourced from PubChem (CID 79256341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).