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

C5H9NO2S — CID 156566229

IUPAC(3E)-4-(sulfinoamino)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)/b5-4+
InChIKeySIVLNKPEXBBCEI-SNAWJCMRSA-N
MW147.20 g/mol
LogP0.80
Rot. Bonds3

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

(3E)-4-(sulfinoamino)penta-1,3-diene (PubChem CID 156566229) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is (3E)-4-(sulfinoamino)penta-1,3-diene.

Molecular Properties

Compound Name(3E)-4-(sulfinoamino)penta-1,3-diene
PubChem CID156566229
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name(3E)-4-(sulfinoamino)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)/b5-4+
InChIKeySIVLNKPEXBBCEI-SNAWJCMRSA-N
XLogP0.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-(sulfinoamino)penta-1,3-diene?
The IUPAC name of (3E)-4-(sulfinoamino)penta-1,3-diene (CID 156566229) is (3E)-4-(sulfinoamino)penta-1,3-diene.
What is the SMILES notation for (3E)-4-(sulfinoamino)penta-1,3-diene?
The canonical SMILES for (3E)-4-(sulfinoamino)penta-1,3-diene is C=C/C=C(\C)NS(=O)O.
What is the InChIKey of (3E)-4-(sulfinoamino)penta-1,3-diene?
The InChIKey is SIVLNKPEXBBCEI-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-3-4-5(2)6-9(7)8/h3-4,6H,1H2,2H3,(H,7,8)/b5-4+.
What are the key properties of (3E)-4-(sulfinoamino)penta-1,3-diene?
(3E)-4-(sulfinoamino)penta-1,3-diene has a molecular weight of 147.20 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-(sulfinoamino)penta-1,3-diene is sourced from PubChem (CID 156566229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).