1-(2-propylsulfonylethenylsulfonyl)propane

C8H16O4S2 — CID 14212

IUPAC1-(2-propylsulfonylethenylsulfonyl)propane
SMILESCCCS(=O)(=O)C=CS(=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
InChIKeyYTPMCWYIRHLEGM-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.11
Rot. Bonds6

About 1-(2-propylsulfonylethenylsulfonyl)propane

1-(2-propylsulfonylethenylsulfonyl)propane (PubChem CID 14212) has the molecular formula C8H16O4S2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2-propylsulfonylethenylsulfonyl)propane.

Molecular Properties

Compound Name1-(2-propylsulfonylethenylsulfonyl)propane
PubChem CID14212
Molecular FormulaC8H16O4S2
Molecular Weight240.35 g/mol
Exact Mass240.05
IUPAC Name1-(2-propylsulfonylethenylsulfonyl)propane
SMILESCCCS(=O)(=O)C=CS(=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
InChIKeyYTPMCWYIRHLEGM-UHFFFAOYSA-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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Related Compounds

N-methyl-3-propylsulfonylprop-2-enamide
CID 54384095
(1E,3E)-1,4-bis(butylsulfonyl)buta-1,3-diene
CID 6254835
(1Z,3E)-1,4-bis(butylsulfonyl)buta-1,3-diene
CID 5286933
1-(4-pentylsulfonylbuta-1,3-dienylsulfonyl)pentane
CID 173411073
1-propylsulfonylpropane
CID 11709
diethyl-methyl-propyl-λ4-sulfane
CID 87264764
lithium propane-1-sulfonate
CID 131984534
1-ethylsulfonylpent-1-ene
CID 57276747
ethyl-oxo-propyl-sulfanylidene-λ6-sulfane
CID 129120606
1-[1,2,2-tris(propylsulfonyl)ethenylsulfonyl]propane
CID 3457689
methane;propane-1-sulfonamide
CID 159650684
potassium propane-1-sulfonate
CID 23693600

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylsulfonylethenylsulfonyl)propane?
The IUPAC name of 1-(2-propylsulfonylethenylsulfonyl)propane (CID 14212) is 1-(2-propylsulfonylethenylsulfonyl)propane.
What is the SMILES notation for 1-(2-propylsulfonylethenylsulfonyl)propane?
The canonical SMILES for 1-(2-propylsulfonylethenylsulfonyl)propane is CCCS(=O)(=O)C=CS(=O)(=O)CCC.
What is the InChIKey of 1-(2-propylsulfonylethenylsulfonyl)propane?
The InChIKey is YTPMCWYIRHLEGM-UHFFFAOYSA-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.
What are the key properties of 1-(2-propylsulfonylethenylsulfonyl)propane?
1-(2-propylsulfonylethenylsulfonyl)propane 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-(2-propylsulfonylethenylsulfonyl)propane is sourced from PubChem (CID 14212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).