1,3-bis(ethenylsulfonyl)butane

C8H14O4S2 — CID 22413157

IUPAC1,3-bis(ethenylsulfonyl)butane
SMILESC=CS(=O)(=O)CCC(C)S(=O)(=O)C=C
InChIInChI=1S/C8H14O4S2/c1-4-13(9,10)7-6-8(3)14(11,12)5-2/h4-5,8H,1-2,6-7H2,3H3
InChIKeyNRWMOCCCBZCEJX-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.88
Rot. Bonds6

About 1,3-bis(ethenylsulfonyl)butane

1,3-bis(ethenylsulfonyl)butane (PubChem CID 22413157) has the molecular formula C8H14O4S2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1,3-bis(ethenylsulfonyl)butane.

Molecular Properties

Compound Name1,3-bis(ethenylsulfonyl)butane
PubChem CID22413157
Molecular FormulaC8H14O4S2
Molecular Weight238.33 g/mol
Exact Mass238.03
IUPAC Name1,3-bis(ethenylsulfonyl)butane
SMILESC=CS(=O)(=O)CCC(C)S(=O)(=O)C=C
InChIInChI=1S/C8H14O4S2/c1-4-13(9,10)7-6-8(3)14(11,12)5-2/h4-5,8H,1-2,6-7H2,3H3
InChIKeyNRWMOCCCBZCEJX-UHFFFAOYSA-N
XLogP0.88
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-bis(ethenylsulfonyl)butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenylsulfonyl)butane?
The IUPAC name of 1,3-bis(ethenylsulfonyl)butane (CID 22413157) is 1,3-bis(ethenylsulfonyl)butane.
What is the SMILES notation for 1,3-bis(ethenylsulfonyl)butane?
The canonical SMILES for 1,3-bis(ethenylsulfonyl)butane is C=CS(=O)(=O)CCC(C)S(=O)(=O)C=C.
What is the InChIKey of 1,3-bis(ethenylsulfonyl)butane?
The InChIKey is NRWMOCCCBZCEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S2/c1-4-13(9,10)7-6-8(3)14(11,12)5-2/h4-5,8H,1-2,6-7H2,3H3.
What are the key properties of 1,3-bis(ethenylsulfonyl)butane?
1,3-bis(ethenylsulfonyl)butane has a molecular weight of 238.33 g/mol, XLogP of 0.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenylsulfonyl)butane is sourced from PubChem (CID 22413157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).