propyl N-chlorosulfonylcarbamate

C4H8ClNO4S — CID 20767314

IUPACpropyl N-chlorosulfonylcarbamate
SMILESCCCOC(=O)NS(=O)(=O)Cl
InChIInChI=1S/C4H8ClNO4S/c1-2-3-10-4(7)6-11(5,8)9/h2-3H2,1H3,(H,6,7)
InChIKeyUSYQIBOHRYHZGN-UHFFFAOYSA-N
MW201.63 g/mol
LogP0.61
Rot. Bonds3

About propyl N-chlorosulfonylcarbamate

propyl N-chlorosulfonylcarbamate (PubChem CID 20767314) has the molecular formula C4H8ClNO4S and a molecular weight of 201.63 g/mol. Its IUPAC name is propyl N-chlorosulfonylcarbamate.

Molecular Properties

Compound Namepropyl N-chlorosulfonylcarbamate
PubChem CID20767314
Molecular FormulaC4H8ClNO4S
Molecular Weight201.63 g/mol
Exact Mass200.99
IUPAC Namepropyl N-chlorosulfonylcarbamate
SMILESCCCOC(=O)NS(=O)(=O)Cl
InChIInChI=1S/C4H8ClNO4S/c1-2-3-10-4(7)6-11(5,8)9/h2-3H2,1H3,(H,6,7)
InChIKeyUSYQIBOHRYHZGN-UHFFFAOYSA-N
XLogP0.61
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl N-chlorosulfonylcarbamate?
The IUPAC name of propyl N-chlorosulfonylcarbamate (CID 20767314) is propyl N-chlorosulfonylcarbamate.
What is the SMILES notation for propyl N-chlorosulfonylcarbamate?
The canonical SMILES for propyl N-chlorosulfonylcarbamate is CCCOC(=O)NS(=O)(=O)Cl.
What is the InChIKey of propyl N-chlorosulfonylcarbamate?
The InChIKey is USYQIBOHRYHZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClNO4S/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-chlorosulfonylcarbamate?
propyl N-chlorosulfonylcarbamate has a molecular weight of 201.63 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-chlorosulfonylcarbamate is sourced from PubChem (CID 20767314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).