prop-2-enyl N-chlorosulfonylcarbamate

C4H6ClNO4S — CID 55279199

IUPACprop-2-enyl N-chlorosulfonylcarbamate
SMILESC=CCOC(=O)NS(=O)(=O)Cl
InChIInChI=1S/C4H6ClNO4S/c1-2-3-10-4(7)6-11(5,8)9/h2H,1,3H2,(H,6,7)
InChIKeyVTBIAXSAOTXEEH-UHFFFAOYSA-N
MW199.61 g/mol
LogP0.38
Rot. Bonds3

About prop-2-enyl N-chlorosulfonylcarbamate

prop-2-enyl N-chlorosulfonylcarbamate (PubChem CID 55279199) has the molecular formula C4H6ClNO4S and a molecular weight of 199.61 g/mol. Its IUPAC name is prop-2-enyl N-chlorosulfonylcarbamate.

Molecular Properties

Compound Nameprop-2-enyl N-chlorosulfonylcarbamate
PubChem CID55279199
Molecular FormulaC4H6ClNO4S
Molecular Weight199.61 g/mol
Exact Mass198.97
IUPAC Nameprop-2-enyl N-chlorosulfonylcarbamate
SMILESC=CCOC(=O)NS(=O)(=O)Cl
InChIInChI=1S/C4H6ClNO4S/c1-2-3-10-4(7)6-11(5,8)9/h2H,1,3H2,(H,6,7)
InChIKeyVTBIAXSAOTXEEH-UHFFFAOYSA-N
XLogP0.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.61
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl N-sulfanylcarbamate
CID 90994311
2-methyl-3-methylsulfonyl-2-(prop-2-enoxycarbonylamino)propanoic acid
CID 167725948
2,2-bis(prop-2-enoxycarbonylamino)propanoic acid
CID 88657328
prop-2-enyl N-[2-(chloromethylamino)-2-oxoethyl]carbamate
CID 167508048
chloromethane;prop-2-enyl propanoate
CID 174815872
prop-2-enyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate
CID 22826694
bis(prop-2-enyl) carbonate;ethene
CID 87465968
prop-2-enyl 2-chloro-2-methylpropanoate
CID 21285838
buta-1,3-diene;prop-2-enyl prop-2-enoate
CID 87253709
magnesium;bis(prop-2-enyl) propanedioate;hydride
CID 173327866
3,3,3-trifluoro-2-methyl-2-(prop-2-enoxycarbonylamino)propanoic acid
CID 79795491
prop-2-enyl N-(2-aminopropyl)carbamate
CID 11321103

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-chlorosulfonylcarbamate?
The IUPAC name of prop-2-enyl N-chlorosulfonylcarbamate (CID 55279199) is prop-2-enyl N-chlorosulfonylcarbamate.
What is the SMILES notation for prop-2-enyl N-chlorosulfonylcarbamate?
The canonical SMILES for prop-2-enyl N-chlorosulfonylcarbamate is C=CCOC(=O)NS(=O)(=O)Cl.
What is the InChIKey of prop-2-enyl N-chlorosulfonylcarbamate?
The InChIKey is VTBIAXSAOTXEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClNO4S/c1-2-3-10-4(7)6-11(5,8)9/h2H,1,3H2,(H,6,7).
What are the key properties of prop-2-enyl N-chlorosulfonylcarbamate?
prop-2-enyl N-chlorosulfonylcarbamate has a molecular weight of 199.61 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-chlorosulfonylcarbamate is sourced from PubChem (CID 55279199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).