(3E)-4-(sulfinatoamino)penta-1,3-diene

C5H8NO2S- — CID 156566228

IUPAC(3E)-4-(sulfinatoamino)penta-1,3-diene
SMILESC=C/C=C(\C)NS(=O)[O-]
InChIInChI=1S/C5H9NO2S/c1-3-4-5(2)6-9(7)8/h3-4,6H,1H2,2H3,(H,7,8)/p-1/b5-4+
InChIKeySIVLNKPEXBBCEI-SNAWJCMRSA-M
MW146.19 g/mol
LogP0.46
Rot. Bonds3

About (3E)-4-(sulfinatoamino)penta-1,3-diene

(3E)-4-(sulfinatoamino)penta-1,3-diene (PubChem CID 156566228) has the molecular formula C5H8NO2S- and a molecular weight of 146.19 g/mol. Its IUPAC name is (3E)-4-(sulfinatoamino)penta-1,3-diene.

Molecular Properties

Compound Name(3E)-4-(sulfinatoamino)penta-1,3-diene
PubChem CID156566228
Molecular FormulaC5H8NO2S-
Molecular Weight146.19 g/mol
Exact Mass146.03
IUPAC Name(3E)-4-(sulfinatoamino)penta-1,3-diene
SMILESC=C/C=C(\C)NS(=O)[O-]
InChIInChI=1S/C5H9NO2S/c1-3-4-5(2)6-9(7)8/h3-4,6H,1H2,2H3,(H,7,8)/p-1/b5-4+
InChIKeySIVLNKPEXBBCEI-SNAWJCMRSA-M
XLogP0.46
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-4-(sulfinatoamino)penta-1,3-diene with MolForge

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

Launch Full Analysis

Related Compounds

(3E)-4-(sulfinoamino)penta-1,3-diene
CID 156566229
(2E)-penta-2,4-diene-2-sulfinic acid
CID 145136507
methoxy-oxo-(sulfinatoamino)methane
CID 57095260
(4E)-4-methyl-3-oxohepta-4,6-dienoic acid
CID 88512756
4-oxo-4-[[(2E)-penta-2,4-dien-2-yl]amino]butanoic acid
CID 166824221
N-[(2Z)-penta-2,4-dien-2-yl]pentanamide
CID 134525821
lithium (1E)-2-methylbuta-1,3-diene-1-sulfinate
CID 122229942
butane;(2E)-N-methoxypenta-2,4-dien-2-amine
CID 142050769
sulfanyl-sulfanylidene-(sulfinatoamino)methane
CID 18673691
acetic acid;buta-1,3-diene-1,1-diol
CID 174422990
sodium 1-oxoethanesulfinate
CID 23715671
(1E)-1-(2,4-dimethylphenyl)buta-1,3-diene-1-sulfinate
CID 146288783

Frequently Asked Questions

What is the IUPAC name of (3E)-4-(sulfinatoamino)penta-1,3-diene?
The IUPAC name of (3E)-4-(sulfinatoamino)penta-1,3-diene (CID 156566228) is (3E)-4-(sulfinatoamino)penta-1,3-diene.
What is the SMILES notation for (3E)-4-(sulfinatoamino)penta-1,3-diene?
The canonical SMILES for (3E)-4-(sulfinatoamino)penta-1,3-diene is C=C/C=C(\C)NS(=O)[O-].
What is the InChIKey of (3E)-4-(sulfinatoamino)penta-1,3-diene?
The InChIKey is SIVLNKPEXBBCEI-SNAWJCMRSA-M. The full InChI is InChI=1S/C5H9NO2S/c1-3-4-5(2)6-9(7)8/h3-4,6H,1H2,2H3,(H,7,8)/p-1/b5-4+.
What are the key properties of (3E)-4-(sulfinatoamino)penta-1,3-diene?
(3E)-4-(sulfinatoamino)penta-1,3-diene has a molecular weight of 146.19 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-(sulfinatoamino)penta-1,3-diene is sourced from PubChem (CID 156566228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).