1-[(Z)-2-propylsulfonylethenyl]sulfonylpropane

C8H16O4S2 — CID 5356922

IUPAC1-[(Z)-2-propylsulfonylethenyl]sulfonylpropane
SMILESCCCS(=O)(=O)/C=C\S(=O)(=O)CCC
InChIInChI=1S/C8H16O4S2/c1-3-5-13(9,10)7-8-14(11,12)6-4-2/h7-8H,3-6H2,1-2H3/b8-7-
InChIKeyYTPMCWYIRHLEGM-FPLPWBNLSA-N
MW240.35 g/mol
LogP1.11
Rot. Bonds6

About 1-[(Z)-2-propylsulfonylethenyl]sulfonylpropane

1-[(Z)-2-propylsulfonylethenyl]sulfonylpropane (PubChem CID 5356922) has the molecular formula C8H16O4S2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[(Z)-2-propylsulfonylethenyl]sulfonylpropane.

Molecular Properties

Compound Name1-[(Z)-2-propylsulfonylethenyl]sulfonylpropane
PubChem CID5356922
Molecular FormulaC8H16O4S2
Molecular Weight240.35 g/mol
Exact Mass240.05
IUPAC Name1-[(Z)-2-propylsulfonylethenyl]sulfonylpropane
SMILESCCCS(=O)(=O)/C=C\S(=O)(=O)CCC
InChIInChI=1S/C8H16O4S2/c1-3-5-13(9,10)7-8-14(11,12)6-4-2/h7-8H,3-6H2,1-2H3/b8-7-
InChIKeyYTPMCWYIRHLEGM-FPLPWBNLSA-N
XLogP1.11
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-propylsulfonylethenyl]sulfonylpropane?
The IUPAC name of 1-[(Z)-2-propylsulfonylethenyl]sulfonylpropane (CID 5356922) is 1-[(Z)-2-propylsulfonylethenyl]sulfonylpropane.
What is the SMILES notation for 1-[(Z)-2-propylsulfonylethenyl]sulfonylpropane?
The canonical SMILES for 1-[(Z)-2-propylsulfonylethenyl]sulfonylpropane is CCCS(=O)(=O)/C=C\S(=O)(=O)CCC.
What is the InChIKey of 1-[(Z)-2-propylsulfonylethenyl]sulfonylpropane?
The InChIKey is YTPMCWYIRHLEGM-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H16O4S2/c1-3-5-13(9,10)7-8-14(11,12)6-4-2/h7-8H,3-6H2,1-2H3/b8-7-.
What are the key properties of 1-[(Z)-2-propylsulfonylethenyl]sulfonylpropane?
1-[(Z)-2-propylsulfonylethenyl]sulfonylpropane has a molecular weight of 240.35 g/mol, XLogP of 1.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-propylsulfonylethenyl]sulfonylpropane is sourced from PubChem (CID 5356922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).