2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-4-methylpentane

C11H26N2O3S — CID 61246372

IUPAC2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-4-methylpentane
SMILESCCCCN(C)S(=O)(=O)NC(CO)CC(C)C
InChIInChI=1S/C11H26N2O3S/c1-5-6-7-13(4)17(15,16)12-11(9-14)8-10(2)3/h10-12,14H,5-9H2,1-4H3
InChIKeyRYDNWYBYJUJZON-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.96
Rot. Bonds9

About 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-4-methylpentane

2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-4-methylpentane (PubChem CID 61246372) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-4-methylpentane.

Molecular Properties

Compound Name2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-4-methylpentane
PubChem CID61246372
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC Name2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-4-methylpentane
SMILESCCCCN(C)S(=O)(=O)NC(CO)CC(C)C
InChIInChI=1S/C11H26N2O3S/c1-5-6-7-13(4)17(15,16)12-11(9-14)8-10(2)3/h10-12,14H,5-9H2,1-4H3
InChIKeyRYDNWYBYJUJZON-UHFFFAOYSA-N
XLogP0.96
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.96
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-4-methylpentane?
The IUPAC name of 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-4-methylpentane (CID 61246372) is 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-4-methylpentane.
What is the SMILES notation for 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-4-methylpentane?
The canonical SMILES for 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-4-methylpentane is CCCCN(C)S(=O)(=O)NC(CO)CC(C)C.
What is the InChIKey of 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-4-methylpentane?
The InChIKey is RYDNWYBYJUJZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-5-6-7-13(4)17(15,16)12-11(9-14)8-10(2)3/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-4-methylpentane?
2-[[butyl(methyl)sulfamoyl]amino]-1-hydroxy-4-methylpentane has a molecular weight of 266.41 g/mol, XLogP of 0.96, 9 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-4-methylpentane is sourced from PubChem (CID 61246372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).