2-[(Z)-2-propan-2-ylsulfonylethenyl]sulfonylpropane

C8H16O4S2 — CID 5383974

IUPAC2-[(Z)-2-propan-2-ylsulfonylethenyl]sulfonylpropane
SMILESCC(C)S(=O)(=O)/C=C\S(=O)(=O)C(C)C
InChIInChI=1S/C8H16O4S2/c1-7(2)13(9,10)5-6-14(11,12)8(3)4/h5-8H,1-4H3/b6-5-
InChIKeyCODBNMJEAYHFOU-WAYWQWQTSA-N
MW240.35 g/mol
LogP1.10
Rot. Bonds4

About 2-[(Z)-2-propan-2-ylsulfonylethenyl]sulfonylpropane

2-[(Z)-2-propan-2-ylsulfonylethenyl]sulfonylpropane (PubChem CID 5383974) has the molecular formula C8H16O4S2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[(Z)-2-propan-2-ylsulfonylethenyl]sulfonylpropane.

Molecular Properties

Compound Name2-[(Z)-2-propan-2-ylsulfonylethenyl]sulfonylpropane
PubChem CID5383974
Molecular FormulaC8H16O4S2
Molecular Weight240.35 g/mol
Exact Mass240.05
IUPAC Name2-[(Z)-2-propan-2-ylsulfonylethenyl]sulfonylpropane
SMILESCC(C)S(=O)(=O)/C=C\S(=O)(=O)C(C)C
InChIInChI=1S/C8H16O4S2/c1-7(2)13(9,10)5-6-14(11,12)8(3)4/h5-8H,1-4H3/b6-5-
InChIKeyCODBNMJEAYHFOU-WAYWQWQTSA-N
XLogP1.10
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-propan-2-ylsulfonylethenyl]sulfonylpropane?
The IUPAC name of 2-[(Z)-2-propan-2-ylsulfonylethenyl]sulfonylpropane (CID 5383974) is 2-[(Z)-2-propan-2-ylsulfonylethenyl]sulfonylpropane.
What is the SMILES notation for 2-[(Z)-2-propan-2-ylsulfonylethenyl]sulfonylpropane?
The canonical SMILES for 2-[(Z)-2-propan-2-ylsulfonylethenyl]sulfonylpropane is CC(C)S(=O)(=O)/C=C\S(=O)(=O)C(C)C.
What is the InChIKey of 2-[(Z)-2-propan-2-ylsulfonylethenyl]sulfonylpropane?
The InChIKey is CODBNMJEAYHFOU-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H16O4S2/c1-7(2)13(9,10)5-6-14(11,12)8(3)4/h5-8H,1-4H3/b6-5-.
What are the key properties of 2-[(Z)-2-propan-2-ylsulfonylethenyl]sulfonylpropane?
2-[(Z)-2-propan-2-ylsulfonylethenyl]sulfonylpropane has a molecular weight of 240.35 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-propan-2-ylsulfonylethenyl]sulfonylpropane is sourced from PubChem (CID 5383974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).