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

C10H24N2O3S — CID 64556818

IUPAC2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-2-methylbutane
SMILESCCCCN(C)S(=O)(=O)NC(C)(CC)CO
InChIInChI=1S/C10H24N2O3S/c1-5-7-8-12(4)16(14,15)11-10(3,6-2)9-13/h11,13H,5-9H2,1-4H3
InChIKeyRGTJVVRRFCSHFK-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.71
Rot. Bonds8

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

2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-2-methylbutane (PubChem CID 64556818) 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-2-methylbutane.

Molecular Properties

Compound Name2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-2-methylbutane
PubChem CID64556818
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC Name2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-2-methylbutane
SMILESCCCCN(C)S(=O)(=O)NC(C)(CC)CO
InChIInChI=1S/C10H24N2O3S/c1-5-7-8-12(4)16(14,15)11-10(3,6-2)9-13/h11,13H,5-9H2,1-4H3
InChIKeyRGTJVVRRFCSHFK-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
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-2-methylbutane?
The IUPAC name of 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-2-methylbutane (CID 64556818) is 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-2-methylbutane.
What is the SMILES notation for 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-2-methylbutane?
The canonical SMILES for 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-2-methylbutane is CCCCN(C)S(=O)(=O)NC(C)(CC)CO.
What is the InChIKey of 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-2-methylbutane?
The InChIKey is RGTJVVRRFCSHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-5-7-8-12(4)16(14,15)11-10(3,6-2)9-13/h11,13H,5-9H2,1-4H3.
What are the key properties of 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-2-methylbutane?
2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-2-methylbutane has a molecular weight of 252.38 g/mol, XLogP of 0.71, 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-2-methylbutane is sourced from PubChem (CID 64556818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).