(3E,5Z,7Z)-3-(sulfinatoamino)cyclonona-1,3,5,7-tetraene

C9H10NO2S- — CID 163444403

IUPAC(3E,5Z,7Z)-3-(sulfinatoamino)cyclonona-1,3,5,7-tetraene
SMILESO=S([O-])N/C1=C/C=C\C=C/CC=C1
InChIInChI=1S/C9H11NO2S/c11-13(12)10-9-7-5-3-1-2-4-6-8-9/h1-3,5-8,10H,4H2,(H,11,12)/p-1/b2-1-,5-3-,8-6?,9-7+
InChIKeyGMSVQHLYNHESAQ-ONUJSTDASA-M
MW196.25 g/mol
LogP1.33
Rot. Bonds2

About (3E,5Z,7Z)-3-(sulfinatoamino)cyclonona-1,3,5,7-tetraene

(3E,5Z,7Z)-3-(sulfinatoamino)cyclonona-1,3,5,7-tetraene (PubChem CID 163444403) has the molecular formula C9H10NO2S- and a molecular weight of 196.25 g/mol. Its IUPAC name is (3E,5Z,7Z)-3-(sulfinatoamino)cyclonona-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3E,5Z,7Z)-3-(sulfinatoamino)cyclonona-1,3,5,7-tetraene
PubChem CID163444403
Molecular FormulaC9H10NO2S-
Molecular Weight196.25 g/mol
Exact Mass196.04
IUPAC Name(3E,5Z,7Z)-3-(sulfinatoamino)cyclonona-1,3,5,7-tetraene
SMILESO=S([O-])N/C1=C/C=C\C=C/CC=C1
InChIInChI=1S/C9H11NO2S/c11-13(12)10-9-7-5-3-1-2-4-6-8-9/h1-3,5-8,10H,4H2,(H,11,12)/p-1/b2-1-,5-3-,8-6?,9-7+
InChIKeyGMSVQHLYNHESAQ-ONUJSTDASA-M
XLogP1.33
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z,7Z)-3-(sulfinatoamino)cyclonona-1,3,5,7-tetraene?
The IUPAC name of (3E,5Z,7Z)-3-(sulfinatoamino)cyclonona-1,3,5,7-tetraene (CID 163444403) is (3E,5Z,7Z)-3-(sulfinatoamino)cyclonona-1,3,5,7-tetraene.
What is the SMILES notation for (3E,5Z,7Z)-3-(sulfinatoamino)cyclonona-1,3,5,7-tetraene?
The canonical SMILES for (3E,5Z,7Z)-3-(sulfinatoamino)cyclonona-1,3,5,7-tetraene is O=S([O-])N/C1=C/C=C\C=C/CC=C1.
What is the InChIKey of (3E,5Z,7Z)-3-(sulfinatoamino)cyclonona-1,3,5,7-tetraene?
The InChIKey is GMSVQHLYNHESAQ-ONUJSTDASA-M. The full InChI is InChI=1S/C9H11NO2S/c11-13(12)10-9-7-5-3-1-2-4-6-8-9/h1-3,5-8,10H,4H2,(H,11,12)/p-1/b2-1-,5-3-,8-6?,9-7+.
What are the key properties of (3E,5Z,7Z)-3-(sulfinatoamino)cyclonona-1,3,5,7-tetraene?
(3E,5Z,7Z)-3-(sulfinatoamino)cyclonona-1,3,5,7-tetraene has a molecular weight of 196.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,7Z)-3-(sulfinatoamino)cyclonona-1,3,5,7-tetraene is sourced from PubChem (CID 163444403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).