ethyl N-chlorosulfonylcarbamate

C3H6ClNO4S — CID 15259681

IUPACethyl N-chlorosulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)Cl
InChIInChI=1S/C3H6ClNO4S/c1-2-9-3(6)5-10(4,7)8/h2H2,1H3,(H,5,6)
InChIKeyINZGOWIHIBOARI-UHFFFAOYSA-N
MW187.60 g/mol
LogP0.22
Rot. Bonds2

About ethyl N-chlorosulfonylcarbamate

ethyl N-chlorosulfonylcarbamate (PubChem CID 15259681) has the molecular formula C3H6ClNO4S and a molecular weight of 187.60 g/mol. Its IUPAC name is ethyl N-chlorosulfonylcarbamate.

Molecular Properties

Compound Nameethyl N-chlorosulfonylcarbamate
PubChem CID15259681
Molecular FormulaC3H6ClNO4S
Molecular Weight187.60 g/mol
Exact Mass186.97
IUPAC Nameethyl N-chlorosulfonylcarbamate
SMILESCCOC(=O)NS(=O)(=O)Cl
InChIInChI=1S/C3H6ClNO4S/c1-2-9-3(6)5-10(4,7)8/h2H2,1H3,(H,5,6)
InChIKeyINZGOWIHIBOARI-UHFFFAOYSA-N
XLogP0.22
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.60
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-chlorosulfonylcarbamate?
The IUPAC name of ethyl N-chlorosulfonylcarbamate (CID 15259681) is ethyl N-chlorosulfonylcarbamate.
What is the SMILES notation for ethyl N-chlorosulfonylcarbamate?
The canonical SMILES for ethyl N-chlorosulfonylcarbamate is CCOC(=O)NS(=O)(=O)Cl.
What is the InChIKey of ethyl N-chlorosulfonylcarbamate?
The InChIKey is INZGOWIHIBOARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClNO4S/c1-2-9-3(6)5-10(4,7)8/h2H2,1H3,(H,5,6).
What are the key properties of ethyl N-chlorosulfonylcarbamate?
ethyl N-chlorosulfonylcarbamate has a molecular weight of 187.60 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-chlorosulfonylcarbamate is sourced from PubChem (CID 15259681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).