1,3-bis(ethenylsulfonyl)propan-1-ol

C7H12O5S2 — CID 19739514

IUPAC1,3-bis(ethenylsulfonyl)propan-1-ol
SMILESC=CS(=O)(=O)CCC(O)S(=O)(=O)C=C
InChIInChI=1S/C7H12O5S2/c1-3-13(9,10)6-5-7(8)14(11,12)4-2/h3-4,7-8H,1-2,5-6H2
InChIKeyGTYCPQSJEVDNDF-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.19
Rot. Bonds6

About 1,3-bis(ethenylsulfonyl)propan-1-ol

1,3-bis(ethenylsulfonyl)propan-1-ol (PubChem CID 19739514) has the molecular formula C7H12O5S2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1,3-bis(ethenylsulfonyl)propan-1-ol.

Molecular Properties

Compound Name1,3-bis(ethenylsulfonyl)propan-1-ol
PubChem CID19739514
Molecular FormulaC7H12O5S2
Molecular Weight240.30 g/mol
Exact Mass240.01
IUPAC Name1,3-bis(ethenylsulfonyl)propan-1-ol
SMILESC=CS(=O)(=O)CCC(O)S(=O)(=O)C=C
InChIInChI=1S/C7H12O5S2/c1-3-13(9,10)6-5-7(8)14(11,12)4-2/h3-4,7-8H,1-2,5-6H2
InChIKeyGTYCPQSJEVDNDF-UHFFFAOYSA-N
XLogP-0.19
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(ethenylsulfonyl)propan-1-ol?
The IUPAC name of 1,3-bis(ethenylsulfonyl)propan-1-ol (CID 19739514) is 1,3-bis(ethenylsulfonyl)propan-1-ol.
What is the SMILES notation for 1,3-bis(ethenylsulfonyl)propan-1-ol?
The canonical SMILES for 1,3-bis(ethenylsulfonyl)propan-1-ol is C=CS(=O)(=O)CCC(O)S(=O)(=O)C=C.
What is the InChIKey of 1,3-bis(ethenylsulfonyl)propan-1-ol?
The InChIKey is GTYCPQSJEVDNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5S2/c1-3-13(9,10)6-5-7(8)14(11,12)4-2/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 1,3-bis(ethenylsulfonyl)propan-1-ol?
1,3-bis(ethenylsulfonyl)propan-1-ol has a molecular weight of 240.30 g/mol, XLogP of -0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(ethenylsulfonyl)propan-1-ol is sourced from PubChem (CID 19739514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).