3-(sulfinoamino)cinnoline

C8H7N3O2S — CID 22346485

IUPAC3-(sulfinoamino)cinnoline
SMILESO=S(O)Nc1cc2ccccc2nn1
InChIInChI=1S/C8H7N3O2S/c12-14(13)11-8-5-6-3-1-2-4-7(6)9-10-8/h1-5H,(H,10,11)(H,12,13)
InChIKeyKCSUKXYCPOKETL-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.18
Rot. Bonds2

About 3-(sulfinoamino)cinnoline

3-(sulfinoamino)cinnoline (PubChem CID 22346485) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 3-(sulfinoamino)cinnoline.

Molecular Properties

Compound Name3-(sulfinoamino)cinnoline
PubChem CID22346485
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name3-(sulfinoamino)cinnoline
SMILESO=S(O)Nc1cc2ccccc2nn1
InChIInChI=1S/C8H7N3O2S/c12-14(13)11-8-5-6-3-1-2-4-7(6)9-10-8/h1-5H,(H,10,11)(H,12,13)
InChIKeyKCSUKXYCPOKETL-UHFFFAOYSA-N
XLogP1.18
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enylcinnolin-3-amine
CID 69404307
3-cinnolin-3-ylcinnoline
CID 12908797
acridine-1-sulfinic acid
CID 91240554
cinnoline-3-carboxylic acid;ethane
CID 90831322
2-[2-(sulfinoamino)phenyl]quinoline
CID 22445092
3-iodocinnoline
CID 12908769
8-phenyl-2-(sulfinoamino)quinoline
CID 174322817
2-[4-(cinnolin-3-ylamino)-4-oxobutyl]benzamide
CID 173151841
3-[2,6-dichloro-4-(sulfinoamino)phenoxy]quinoline
CID 164563480
N-cinnolin-3-yl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 126834193
N-pyridin-2-ylcinnoline-3-carboxamide
CID 110705167
3-[1,2,2-tris(1,2,4-benzotriazin-3-yl)ethenyl]-1,2,4-benzotriazine
CID 25068014

Frequently Asked Questions

What is the IUPAC name of 3-(sulfinoamino)cinnoline?
The IUPAC name of 3-(sulfinoamino)cinnoline (CID 22346485) is 3-(sulfinoamino)cinnoline.
What is the SMILES notation for 3-(sulfinoamino)cinnoline?
The canonical SMILES for 3-(sulfinoamino)cinnoline is O=S(O)Nc1cc2ccccc2nn1.
What is the InChIKey of 3-(sulfinoamino)cinnoline?
The InChIKey is KCSUKXYCPOKETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c12-14(13)11-8-5-6-3-1-2-4-7(6)9-10-8/h1-5H,(H,10,11)(H,12,13).
What are the key properties of 3-(sulfinoamino)cinnoline?
3-(sulfinoamino)cinnoline has a molecular weight of 209.23 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(sulfinoamino)cinnoline is sourced from PubChem (CID 22346485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).