methyl N-(4-hydroxybutylsulfamoyl)carbamate

C6H14N2O5S — CID 106844075

IUPACmethyl N-(4-hydroxybutylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NCCCCO
InChIInChI=1S/C6H14N2O5S/c1-13-6(10)8-14(11,12)7-4-2-3-5-9/h7,9H,2-5H2,1H3,(H,8,10)
InChIKeyCMXWPSGAUOODKW-UHFFFAOYSA-N
MW226.25 g/mol
LogP-1.05
Rot. Bonds6

About methyl N-(4-hydroxybutylsulfamoyl)carbamate

methyl N-(4-hydroxybutylsulfamoyl)carbamate (PubChem CID 106844075) has the molecular formula C6H14N2O5S and a molecular weight of 226.25 g/mol. Its IUPAC name is methyl N-(4-hydroxybutylsulfamoyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-hydroxybutylsulfamoyl)carbamate
PubChem CID106844075
Molecular FormulaC6H14N2O5S
Molecular Weight226.25 g/mol
Exact Mass226.06
IUPAC Namemethyl N-(4-hydroxybutylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NCCCCO
InChIInChI=1S/C6H14N2O5S/c1-13-6(10)8-14(11,12)7-4-2-3-5-9/h7,9H,2-5H2,1H3,(H,8,10)
InChIKeyCMXWPSGAUOODKW-UHFFFAOYSA-N
XLogP-1.05
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl N-(4-hydroxybutylsulfamoyl)carbamate 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 methyl N-(4-hydroxybutylsulfamoyl)carbamate?
The IUPAC name of methyl N-(4-hydroxybutylsulfamoyl)carbamate (CID 106844075) is methyl N-(4-hydroxybutylsulfamoyl)carbamate.
What is the SMILES notation for methyl N-(4-hydroxybutylsulfamoyl)carbamate?
The canonical SMILES for methyl N-(4-hydroxybutylsulfamoyl)carbamate is COC(=O)NS(=O)(=O)NCCCCO.
What is the InChIKey of methyl N-(4-hydroxybutylsulfamoyl)carbamate?
The InChIKey is CMXWPSGAUOODKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O5S/c1-13-6(10)8-14(11,12)7-4-2-3-5-9/h7,9H,2-5H2,1H3,(H,8,10).
What are the key properties of methyl N-(4-hydroxybutylsulfamoyl)carbamate?
methyl N-(4-hydroxybutylsulfamoyl)carbamate has a molecular weight of 226.25 g/mol, XLogP of -1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-hydroxybutylsulfamoyl)carbamate is sourced from PubChem (CID 106844075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).