5-sulfopent-2-enoic acid

C5H8O5S — CID 87392465

IUPAC5-sulfopent-2-enoic acid
SMILESO=C(O)C=CCCS(=O)(=O)O
InChIInChI=1S/C5H8O5S/c6-5(7)3-1-2-4-11(8,9)10/h1,3H,2,4H2,(H,6,7)(H,8,9,10)
InChIKeyDYTZPXRNUJXGJJ-UHFFFAOYSA-N
MW180.18 g/mol
LogP-0.09
Rot. Bonds4

About 5-sulfopent-2-enoic acid

5-sulfopent-2-enoic acid (PubChem CID 87392465) has the molecular formula C5H8O5S and a molecular weight of 180.18 g/mol. Its IUPAC name is 5-sulfopent-2-enoic acid.

Molecular Properties

Compound Name5-sulfopent-2-enoic acid
PubChem CID87392465
Molecular FormulaC5H8O5S
Molecular Weight180.18 g/mol
Exact Mass180.01
IUPAC Name5-sulfopent-2-enoic acid
SMILESO=C(O)C=CCCS(=O)(=O)O
InChIInChI=1S/C5H8O5S/c6-5(7)3-1-2-4-11(8,9)10/h1,3H,2,4H2,(H,6,7)(H,8,9,10)
InChIKeyDYTZPXRNUJXGJJ-UHFFFAOYSA-N
XLogP-0.09
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(E)-hex-2-enoic acid
CID 5282707
(Z)-but-2-enedioic acid;4-hydroxybutane-1-sulfonic acid
CID 174906570
5-bromopent-2-enoic acid
CID 54205255
docosakis(hex-2-enoic acid);phosphane
CID 174896095
(E)-5-bromopent-2-enoic acid
CID 19912723
hepta-2,5-dienedioic acid
CID 74058962
4-sulfamoylbut-2-enoic acid
CID 173211865
(2E,4E)-hexa-2,4-dienoic acid;propane-1-sulfonic acid
CID 160573777
tetradec-3-ene-1-sulfonic acid
CID 54404053
(E)-10-hydroxydec-2-enoic acid
CID 5312738
CID 158204021
CID 158204021
(Z)-oct-2-enoic acid
CID 5282713

Frequently Asked Questions

What is the IUPAC name of 5-sulfopent-2-enoic acid?
The IUPAC name of 5-sulfopent-2-enoic acid (CID 87392465) is 5-sulfopent-2-enoic acid.
What is the SMILES notation for 5-sulfopent-2-enoic acid?
The canonical SMILES for 5-sulfopent-2-enoic acid is O=C(O)C=CCCS(=O)(=O)O.
What is the InChIKey of 5-sulfopent-2-enoic acid?
The InChIKey is DYTZPXRNUJXGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O5S/c6-5(7)3-1-2-4-11(8,9)10/h1,3H,2,4H2,(H,6,7)(H,8,9,10).
What are the key properties of 5-sulfopent-2-enoic acid?
5-sulfopent-2-enoic acid has a molecular weight of 180.18 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfopent-2-enoic acid is sourced from PubChem (CID 87392465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).