tert-butyl N-chlorosulfonylcarbamate

C5H10ClNO4S — CID 15677406

IUPACtert-butyl N-chlorosulfonylcarbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)Cl
InChIInChI=1S/C5H10ClNO4S/c1-5(2,3)11-4(8)7-12(6,9)10/h1-3H3,(H,7,8)
InChIKeyKAJZZLBZXOBEMD-UHFFFAOYSA-N
MW215.66 g/mol
LogP0.99
Rot. Bonds1

About tert-butyl N-chlorosulfonylcarbamate

tert-butyl N-chlorosulfonylcarbamate (PubChem CID 15677406) has the molecular formula C5H10ClNO4S and a molecular weight of 215.66 g/mol. Its IUPAC name is tert-butyl N-chlorosulfonylcarbamate.

Molecular Properties

Compound Nametert-butyl N-chlorosulfonylcarbamate
PubChem CID15677406
Molecular FormulaC5H10ClNO4S
Molecular Weight215.66 g/mol
Exact Mass215.00
IUPAC Nametert-butyl N-chlorosulfonylcarbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)Cl
InChIInChI=1S/C5H10ClNO4S/c1-5(2,3)11-4(8)7-12(6,9)10/h1-3H3,(H,7,8)
InChIKeyKAJZZLBZXOBEMD-UHFFFAOYSA-N
XLogP0.99
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-chlorosulfonylcarbamate 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 tert-butyl N-chlorosulfonylcarbamate?
The IUPAC name of tert-butyl N-chlorosulfonylcarbamate (CID 15677406) is tert-butyl N-chlorosulfonylcarbamate.
What is the SMILES notation for tert-butyl N-chlorosulfonylcarbamate?
The canonical SMILES for tert-butyl N-chlorosulfonylcarbamate is CC(C)(C)OC(=O)NS(=O)(=O)Cl.
What is the InChIKey of tert-butyl N-chlorosulfonylcarbamate?
The InChIKey is KAJZZLBZXOBEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO4S/c1-5(2,3)11-4(8)7-12(6,9)10/h1-3H3,(H,7,8).
What are the key properties of tert-butyl N-chlorosulfonylcarbamate?
tert-butyl N-chlorosulfonylcarbamate has a molecular weight of 215.66 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-chlorosulfonylcarbamate is sourced from PubChem (CID 15677406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).