1-[1,2,2-tris(propylsulfonyl)ethenylsulfonyl]propane

C14H28O8S4 — CID 3457689

IUPAC1-[1,2,2-tris(propylsulfonyl)ethenylsulfonyl]propane
SMILESCCCS(=O)(=O)C(=C(S(=O)(=O)CCC)S(=O)(=O)CCC)S(=O)(=O)CCC
InChIInChI=1S/C14H28O8S4/c1-5-9-23(15,16)13(24(17,18)10-6-2)14(25(19,20)11-7-3)26(21,22)12-8-4/h5-12H2,1-4H3
InChIKeyZVSOXKQTDURUJJ-UHFFFAOYSA-N
MW452.64 g/mol
LogP1.41
Rot. Bonds12

About 1-[1,2,2-tris(propylsulfonyl)ethenylsulfonyl]propane

1-[1,2,2-tris(propylsulfonyl)ethenylsulfonyl]propane (PubChem CID 3457689) has the molecular formula C14H28O8S4 and a molecular weight of 452.64 g/mol. Its IUPAC name is 1-[1,2,2-tris(propylsulfonyl)ethenylsulfonyl]propane.

Molecular Properties

Compound Name1-[1,2,2-tris(propylsulfonyl)ethenylsulfonyl]propane
PubChem CID3457689
Molecular FormulaC14H28O8S4
Molecular Weight452.64 g/mol
Exact Mass452.07
IUPAC Name1-[1,2,2-tris(propylsulfonyl)ethenylsulfonyl]propane
SMILESCCCS(=O)(=O)C(=C(S(=O)(=O)CCC)S(=O)(=O)CCC)S(=O)(=O)CCC
InChIInChI=1S/C14H28O8S4/c1-5-9-23(15,16)13(24(17,18)10-6-2)14(25(19,20)11-7-3)26(21,22)12-8-4/h5-12H2,1-4H3
InChIKeyZVSOXKQTDURUJJ-UHFFFAOYSA-N
XLogP1.41
TPSA136.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.64
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-propylsulfonylpropane
CID 11709
methane;propane-1-sulfonamide
CID 159650684
CID 121393600
CID 121393600
CID 160808484
CID 160808484
hydroxy-oxo-propyl-tellanylidene-λ6-sulfane
CID 139949635
ethane;pentakis(propane-1-sulfonic acid)
CID 158893831
methanesulfonic acid;propane-1-sulfonic acid
CID 87924907
hydrazine;propane-1-sulfonic acid
CID 159325511
lithium propane-1-sulfonate
CID 131984534
cerium(3+);tris(propane-1-sulfonate)
CID 159815250
potassium propane-1-sulfonate
CID 23693600
1-(2-propylsulfonylethenylsulfonyl)propane
CID 14212

Frequently Asked Questions

What is the IUPAC name of 1-[1,2,2-tris(propylsulfonyl)ethenylsulfonyl]propane?
The IUPAC name of 1-[1,2,2-tris(propylsulfonyl)ethenylsulfonyl]propane (CID 3457689) is 1-[1,2,2-tris(propylsulfonyl)ethenylsulfonyl]propane.
What is the SMILES notation for 1-[1,2,2-tris(propylsulfonyl)ethenylsulfonyl]propane?
The canonical SMILES for 1-[1,2,2-tris(propylsulfonyl)ethenylsulfonyl]propane is CCCS(=O)(=O)C(=C(S(=O)(=O)CCC)S(=O)(=O)CCC)S(=O)(=O)CCC.
What is the InChIKey of 1-[1,2,2-tris(propylsulfonyl)ethenylsulfonyl]propane?
The InChIKey is ZVSOXKQTDURUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O8S4/c1-5-9-23(15,16)13(24(17,18)10-6-2)14(25(19,20)11-7-3)26(21,22)12-8-4/h5-12H2,1-4H3.
What are the key properties of 1-[1,2,2-tris(propylsulfonyl)ethenylsulfonyl]propane?
1-[1,2,2-tris(propylsulfonyl)ethenylsulfonyl]propane has a molecular weight of 452.64 g/mol, XLogP of 1.41, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2,2-tris(propylsulfonyl)ethenylsulfonyl]propane is sourced from PubChem (CID 3457689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).