1-[methyl(sulfamoyl)amino]pentane

C6H16N2O2S — CID 43295225

IUPAC1-[methyl(sulfamoyl)amino]pentane
SMILESCCCCCN(C)S(N)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-3-4-5-6-8(2)11(7,9)10/h3-6H2,1-2H3,(H2,7,9,10)
InChIKeyJTRRILHKROUMCC-UHFFFAOYSA-N
MW180.27 g/mol
LogP0.31
Rot. Bonds5

About 1-[methyl(sulfamoyl)amino]pentane

1-[methyl(sulfamoyl)amino]pentane (PubChem CID 43295225) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is 1-[methyl(sulfamoyl)amino]pentane.

Molecular Properties

Compound Name1-[methyl(sulfamoyl)amino]pentane
PubChem CID43295225
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC Name1-[methyl(sulfamoyl)amino]pentane
SMILESCCCCCN(C)S(N)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-3-4-5-6-8(2)11(7,9)10/h3-6H2,1-2H3,(H2,7,9,10)
InChIKeyJTRRILHKROUMCC-UHFFFAOYSA-N
XLogP0.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[methyl(sulfamoyl)amino]pentane 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 1-[methyl(sulfamoyl)amino]pentane?
The IUPAC name of 1-[methyl(sulfamoyl)amino]pentane (CID 43295225) is 1-[methyl(sulfamoyl)amino]pentane.
What is the SMILES notation for 1-[methyl(sulfamoyl)amino]pentane?
The canonical SMILES for 1-[methyl(sulfamoyl)amino]pentane is CCCCCN(C)S(N)(=O)=O.
What is the InChIKey of 1-[methyl(sulfamoyl)amino]pentane?
The InChIKey is JTRRILHKROUMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-3-4-5-6-8(2)11(7,9)10/h3-6H2,1-2H3,(H2,7,9,10).
What are the key properties of 1-[methyl(sulfamoyl)amino]pentane?
1-[methyl(sulfamoyl)amino]pentane has a molecular weight of 180.27 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(sulfamoyl)amino]pentane is sourced from PubChem (CID 43295225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).