3-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-hydroxypentane

C11H26N2O3S — CID 65112874

IUPAC3-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-hydroxypentane
SMILESCCCCN(C)S(=O)(=O)NCC(O)(CC)CC
InChIInChI=1S/C11H26N2O3S/c1-5-8-9-13(4)17(15,16)12-10-11(14,6-2)7-3/h12,14H,5-10H2,1-4H3
InChIKeyAMDSFCZFCXOLCD-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.10
Rot. Bonds9

About 3-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-hydroxypentane

3-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-hydroxypentane (PubChem CID 65112874) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-hydroxypentane.

Molecular Properties

Compound Name3-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-hydroxypentane
PubChem CID65112874
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC Name3-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-hydroxypentane
SMILESCCCCN(C)S(=O)(=O)NCC(O)(CC)CC
InChIInChI=1S/C11H26N2O3S/c1-5-8-9-13(4)17(15,16)12-10-11(14,6-2)7-3/h12,14H,5-10H2,1-4H3
InChIKeyAMDSFCZFCXOLCD-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-hydroxypentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-hydroxypentane?
The IUPAC name of 3-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-hydroxypentane (CID 65112874) is 3-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-hydroxypentane.
What is the SMILES notation for 3-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-hydroxypentane?
The canonical SMILES for 3-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-hydroxypentane is CCCCN(C)S(=O)(=O)NCC(O)(CC)CC.
What is the InChIKey of 3-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-hydroxypentane?
The InChIKey is AMDSFCZFCXOLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-5-8-9-13(4)17(15,16)12-10-11(14,6-2)7-3/h12,14H,5-10H2,1-4H3.
What are the key properties of 3-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-hydroxypentane?
3-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-hydroxypentane has a molecular weight of 266.41 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[butyl(methyl)sulfamoyl]amino]methyl]-3-hydroxypentane is sourced from PubChem (CID 65112874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).