prop-2-enyl N-sulfanylcarbamate

C4H7NO2S — CID 90994311

IUPACprop-2-enyl N-sulfanylcarbamate
SMILESC=CCOC(=O)NS
InChIInChI=1S/C4H7NO2S/c1-2-3-7-4(6)5-8/h2,8H,1,3H2,(H,5,6)
InChIKeyYHFKYSJSUFGKEQ-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.74
Rot. Bonds2

About prop-2-enyl N-sulfanylcarbamate

prop-2-enyl N-sulfanylcarbamate (PubChem CID 90994311) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is prop-2-enyl N-sulfanylcarbamate.

Molecular Properties

Compound Nameprop-2-enyl N-sulfanylcarbamate
PubChem CID90994311
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC Nameprop-2-enyl N-sulfanylcarbamate
SMILESC=CCOC(=O)NS
InChIInChI=1S/C4H7NO2S/c1-2-3-7-4(6)5-8/h2,8H,1,3H2,(H,5,6)
InChIKeyYHFKYSJSUFGKEQ-UHFFFAOYSA-N
XLogP0.74
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze prop-2-enyl N-sulfanylcarbamate 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

buta-1,3-diene;prop-2-enyl prop-2-enoate
CID 87253709
prop-2-enyl N-[(Z)-1-(methylideneamino)-2-sulfanylethenyl]carbamate
CID 142837542
methane;prop-2-enyl prop-2-enoate
CID 87568259
bis(prop-2-enyl) 2-hydroxypropanedioate
CID 14329928
prop-2-enyl N-chlorosulfonylcarbamate
CID 55279199
3-(sulfinatocarbamoylcarbamoyloxy)prop-1-ene
CID 175211409
bis(prop-2-enyl) carbonate;ethene
CID 87465968
magnesium;bis(prop-2-enyl) propanedioate;hydride
CID 173327866
2,2-bis(prop-2-enoxycarbonylamino)propanoic acid
CID 88657328
prop-2-enyl N-(2-aminopropyl)carbamate
CID 11321103
ethyl (prop-2-enoxycarbonylamino) carbonate
CID 101097920
bis(prop-2-enyl) propanedioate;deca-1,9-diene
CID 174429542

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-sulfanylcarbamate?
The IUPAC name of prop-2-enyl N-sulfanylcarbamate (CID 90994311) is prop-2-enyl N-sulfanylcarbamate.
What is the SMILES notation for prop-2-enyl N-sulfanylcarbamate?
The canonical SMILES for prop-2-enyl N-sulfanylcarbamate is C=CCOC(=O)NS.
What is the InChIKey of prop-2-enyl N-sulfanylcarbamate?
The InChIKey is YHFKYSJSUFGKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2S/c1-2-3-7-4(6)5-8/h2,8H,1,3H2,(H,5,6).
What are the key properties of prop-2-enyl N-sulfanylcarbamate?
prop-2-enyl N-sulfanylcarbamate has a molecular weight of 133.17 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-sulfanylcarbamate is sourced from PubChem (CID 90994311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).