propyl N-fluorosulfonylcarbamate

C4H8FNO4S — CID 45119469

IUPACpropyl N-fluorosulfonylcarbamate
SMILESCCCOC(=O)NS(=O)(=O)F
InChIInChI=1S/C4H8FNO4S/c1-2-3-10-4(7)6-11(5,8)9/h2-3H2,1H3,(H,6,7)
InChIKeyOGOPIOOBBTUIDZ-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.34
Rot. Bonds3

About propyl N-fluorosulfonylcarbamate

propyl N-fluorosulfonylcarbamate (PubChem CID 45119469) has the molecular formula C4H8FNO4S and a molecular weight of 185.18 g/mol. Its IUPAC name is propyl N-fluorosulfonylcarbamate.

Molecular Properties

Compound Namepropyl N-fluorosulfonylcarbamate
PubChem CID45119469
Molecular FormulaC4H8FNO4S
Molecular Weight185.18 g/mol
Exact Mass185.02
IUPAC Namepropyl N-fluorosulfonylcarbamate
SMILESCCCOC(=O)NS(=O)(=O)F
InChIInChI=1S/C4H8FNO4S/c1-2-3-10-4(7)6-11(5,8)9/h2-3H2,1H3,(H,6,7)
InChIKeyOGOPIOOBBTUIDZ-UHFFFAOYSA-N
XLogP0.34
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl N-fluorosulfonylcarbamate 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 propyl N-fluorosulfonylcarbamate?
The IUPAC name of propyl N-fluorosulfonylcarbamate (CID 45119469) is propyl N-fluorosulfonylcarbamate.
What is the SMILES notation for propyl N-fluorosulfonylcarbamate?
The canonical SMILES for propyl N-fluorosulfonylcarbamate is CCCOC(=O)NS(=O)(=O)F.
What is the InChIKey of propyl N-fluorosulfonylcarbamate?
The InChIKey is OGOPIOOBBTUIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO4S/c1-2-3-10-4(7)6-11(5,8)9/h2-3H2,1H3,(H,6,7).
What are the key properties of propyl N-fluorosulfonylcarbamate?
propyl N-fluorosulfonylcarbamate has a molecular weight of 185.18 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-fluorosulfonylcarbamate is sourced from PubChem (CID 45119469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).