[(E)-3-methylsulfonylprop-2-enyl] carbamate

C5H9NO4S — CID 175360018

IUPAC[(E)-3-methylsulfonylprop-2-enyl] carbamate
SMILESCS(=O)(=O)/C=C/COC(N)=O
InChIInChI=1S/C5H9NO4S/c1-11(8,9)4-2-3-10-5(6)7/h2,4H,3H2,1H3,(H2,6,7)/b4-2+
InChIKeyRIQPKNCFHCRHNO-DUXPYHPUSA-N
MW179.20 g/mol
LogP-0.36
Rot. Bonds3

About [(E)-3-methylsulfonylprop-2-enyl] carbamate

[(E)-3-methylsulfonylprop-2-enyl] carbamate (PubChem CID 175360018) has the molecular formula C5H9NO4S and a molecular weight of 179.20 g/mol. Its IUPAC name is [(E)-3-methylsulfonylprop-2-enyl] carbamate.

Molecular Properties

Compound Name[(E)-3-methylsulfonylprop-2-enyl] carbamate
PubChem CID175360018
Molecular FormulaC5H9NO4S
Molecular Weight179.20 g/mol
Exact Mass179.03
IUPAC Name[(E)-3-methylsulfonylprop-2-enyl] carbamate
SMILESCS(=O)(=O)/C=C/COC(N)=O
InChIInChI=1S/C5H9NO4S/c1-11(8,9)4-2-3-10-5(6)7/h2,4H,3H2,1H3,(H2,6,7)/b4-2+
InChIKeyRIQPKNCFHCRHNO-DUXPYHPUSA-N
XLogP-0.36
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-methylsulfonylprop-2-enyl] carbamate?
The IUPAC name of [(E)-3-methylsulfonylprop-2-enyl] carbamate (CID 175360018) is [(E)-3-methylsulfonylprop-2-enyl] carbamate.
What is the SMILES notation for [(E)-3-methylsulfonylprop-2-enyl] carbamate?
The canonical SMILES for [(E)-3-methylsulfonylprop-2-enyl] carbamate is CS(=O)(=O)/C=C/COC(N)=O.
What is the InChIKey of [(E)-3-methylsulfonylprop-2-enyl] carbamate?
The InChIKey is RIQPKNCFHCRHNO-DUXPYHPUSA-N. The full InChI is InChI=1S/C5H9NO4S/c1-11(8,9)4-2-3-10-5(6)7/h2,4H,3H2,1H3,(H2,6,7)/b4-2+.
What are the key properties of [(E)-3-methylsulfonylprop-2-enyl] carbamate?
[(E)-3-methylsulfonylprop-2-enyl] carbamate has a molecular weight of 179.20 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-methylsulfonylprop-2-enyl] carbamate is sourced from PubChem (CID 175360018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).