butyl N-sulfamoylcarbamate

C5H12N2O4S — CID 23424378

IUPACbutyl N-sulfamoylcarbamate
SMILESCCCCOC(=O)NS(N)(=O)=O
InChIInChI=1S/C5H12N2O4S/c1-2-3-4-11-5(8)7-12(6,9)10/h2-4H2,1H3,(H,7,8)(H2,6,9,10)
InChIKeyGFBKOADVXIDVBA-UHFFFAOYSA-N
MW196.23 g/mol
LogP-0.28
Rot. Bonds4

About butyl N-sulfamoylcarbamate

butyl N-sulfamoylcarbamate (PubChem CID 23424378) has the molecular formula C5H12N2O4S and a molecular weight of 196.23 g/mol. Its IUPAC name is butyl N-sulfamoylcarbamate.

Molecular Properties

Compound Namebutyl N-sulfamoylcarbamate
PubChem CID23424378
Molecular FormulaC5H12N2O4S
Molecular Weight196.23 g/mol
Exact Mass196.05
IUPAC Namebutyl N-sulfamoylcarbamate
SMILESCCCCOC(=O)NS(N)(=O)=O
InChIInChI=1S/C5H12N2O4S/c1-2-3-4-11-5(8)7-12(6,9)10/h2-4H2,1H3,(H,7,8)(H2,6,9,10)
InChIKeyGFBKOADVXIDVBA-UHFFFAOYSA-N
XLogP-0.28
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl N-sulfamoylcarbamate?
The IUPAC name of butyl N-sulfamoylcarbamate (CID 23424378) is butyl N-sulfamoylcarbamate.
What is the SMILES notation for butyl N-sulfamoylcarbamate?
The canonical SMILES for butyl N-sulfamoylcarbamate is CCCCOC(=O)NS(N)(=O)=O.
What is the InChIKey of butyl N-sulfamoylcarbamate?
The InChIKey is GFBKOADVXIDVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O4S/c1-2-3-4-11-5(8)7-12(6,9)10/h2-4H2,1H3,(H,7,8)(H2,6,9,10).
What are the key properties of butyl N-sulfamoylcarbamate?
butyl N-sulfamoylcarbamate has a molecular weight of 196.23 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-sulfamoylcarbamate is sourced from PubChem (CID 23424378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).