(2Z)-4-aminopenta-2,4-diene-1-sulfonic acid

C5H9NO3S — CID 90346906

IUPAC(2Z)-4-aminopenta-2,4-diene-1-sulfonic acid
SMILESC=C(N)/C=C\CS(=O)(=O)O
InChIInChI=1S/C5H9NO3S/c1-5(6)3-2-4-10(7,8)9/h2-3H,1,4,6H2,(H,7,8,9)/b3-2-
InChIKeyOGYFZBKDZRCTHW-IHWYPQMZSA-N
MW163.20 g/mol
LogP-0.10
Rot. Bonds3

About (2Z)-4-aminopenta-2,4-diene-1-sulfonic acid

(2Z)-4-aminopenta-2,4-diene-1-sulfonic acid (PubChem CID 90346906) has the molecular formula C5H9NO3S and a molecular weight of 163.20 g/mol. Its IUPAC name is (2Z)-4-aminopenta-2,4-diene-1-sulfonic acid.

Molecular Properties

Compound Name(2Z)-4-aminopenta-2,4-diene-1-sulfonic acid
PubChem CID90346906
Molecular FormulaC5H9NO3S
Molecular Weight163.20 g/mol
Exact Mass163.03
IUPAC Name(2Z)-4-aminopenta-2,4-diene-1-sulfonic acid
SMILESC=C(N)/C=C\CS(=O)(=O)O
InChIInChI=1S/C5H9NO3S/c1-5(6)3-2-4-10(7,8)9/h2-3H,1,4,6H2,(H,7,8,9)/b3-2-
InChIKeyOGYFZBKDZRCTHW-IHWYPQMZSA-N
XLogP-0.10
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 22562160
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CID 88306202
CID 88306202
CID 88558498
CID 88558498
CID 89034900
CID 89034900
CID 89125923
CID 89125923
CID 90943645
CID 90943645
CID 123696250
CID 123696250
CID 129145164
CID 129145164
CID 134287993
CID 134287993
CID 138617159
CID 138617159
CID 141443371
CID 141443371
CID 142029072
CID 142029072

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-aminopenta-2,4-diene-1-sulfonic acid?
The IUPAC name of (2Z)-4-aminopenta-2,4-diene-1-sulfonic acid (CID 90346906) is (2Z)-4-aminopenta-2,4-diene-1-sulfonic acid.
What is the SMILES notation for (2Z)-4-aminopenta-2,4-diene-1-sulfonic acid?
The canonical SMILES for (2Z)-4-aminopenta-2,4-diene-1-sulfonic acid is C=C(N)/C=C\CS(=O)(=O)O.
What is the InChIKey of (2Z)-4-aminopenta-2,4-diene-1-sulfonic acid?
The InChIKey is OGYFZBKDZRCTHW-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H9NO3S/c1-5(6)3-2-4-10(7,8)9/h2-3H,1,4,6H2,(H,7,8,9)/b3-2-.
What are the key properties of (2Z)-4-aminopenta-2,4-diene-1-sulfonic acid?
(2Z)-4-aminopenta-2,4-diene-1-sulfonic acid has a molecular weight of 163.20 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-aminopenta-2,4-diene-1-sulfonic acid is sourced from PubChem (CID 90346906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).