butyl N-chlorosulfonylcarbamate

C5H10ClNO4S — CID 55279204

IUPACbutyl N-chlorosulfonylcarbamate
SMILESCCCCOC(=O)NS(=O)(=O)Cl
InChIInChI=1S/C5H10ClNO4S/c1-2-3-4-11-5(8)7-12(6,9)10/h2-4H2,1H3,(H,7,8)
InChIKeyCMFHMEHWCTZROK-UHFFFAOYSA-N
MW215.66 g/mol
LogP1.00
Rot. Bonds4

About butyl N-chlorosulfonylcarbamate

butyl N-chlorosulfonylcarbamate (PubChem CID 55279204) has the molecular formula C5H10ClNO4S and a molecular weight of 215.66 g/mol. Its IUPAC name is butyl N-chlorosulfonylcarbamate.

Molecular Properties

Compound Namebutyl N-chlorosulfonylcarbamate
PubChem CID55279204
Molecular FormulaC5H10ClNO4S
Molecular Weight215.66 g/mol
Exact Mass215.00
IUPAC Namebutyl N-chlorosulfonylcarbamate
SMILESCCCCOC(=O)NS(=O)(=O)Cl
InChIInChI=1S/C5H10ClNO4S/c1-2-3-4-11-5(8)7-12(6,9)10/h2-4H2,1H3,(H,7,8)
InChIKeyCMFHMEHWCTZROK-UHFFFAOYSA-N
XLogP1.00
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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

Related Compounds

butyl N-(butoxycarbonylsulfamoyl)carbamate
CID 71414094
4-methylpentyl N-chlorosulfonylcarbamate
CID 116519944
butyl N-[methyl-bis(sulfanyl)-λ4-sulfanyl]sulfonylcarbamate
CID 166897347
pentyl N-(pentoxycarbonylamino)carbamate
CID 71445161
butyl N-(phenylsulfamoyl)carbamate
CID 131732175
butyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 132577582
N-pentanoylsulfamoyl chloride
CID 59773977
butoxycarbonylcarbamic acid
CID 22136826
propyl N-iodosulfonylcarbamate
CID 89299512
butyl N-(2-sulfamoylethyl)carbamate
CID 151237062
prop-2-enyl N-chlorosulfonylcarbamate
CID 55279199
butyl 2-(chlorosulfonylmethyl)-3-methylbutanoate
CID 142682611

Frequently Asked Questions

What is the IUPAC name of butyl N-chlorosulfonylcarbamate?
The IUPAC name of butyl N-chlorosulfonylcarbamate (CID 55279204) is butyl N-chlorosulfonylcarbamate.
What is the SMILES notation for butyl N-chlorosulfonylcarbamate?
The canonical SMILES for butyl N-chlorosulfonylcarbamate is CCCCOC(=O)NS(=O)(=O)Cl.
What is the InChIKey of butyl N-chlorosulfonylcarbamate?
The InChIKey is CMFHMEHWCTZROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO4S/c1-2-3-4-11-5(8)7-12(6,9)10/h2-4H2,1H3,(H,7,8).
What are the key properties of butyl N-chlorosulfonylcarbamate?
butyl N-chlorosulfonylcarbamate has a molecular weight of 215.66 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-chlorosulfonylcarbamate is sourced from PubChem (CID 55279204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).