5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one

C16H23NOS2 — CID 105344666

IUPAC5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1CCCCCCCCCS
InChIInChI=1S/C16H23NOS2/c18-16-14-9-13-20-15(14)8-11-17(16)10-6-4-2-1-3-5-7-12-19/h8-9,11,13,19H,1-7,10,12H2
InChIKeyMCWZWSLKKZYTJA-UHFFFAOYSA-N
MW309.50 g/mol
LogP4.72
Rot. Bonds9

About 5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one

5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one (PubChem CID 105344666) has the molecular formula C16H23NOS2 and a molecular weight of 309.50 g/mol. Its IUPAC name is 5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one
PubChem CID105344666
Molecular FormulaC16H23NOS2
Molecular Weight309.50 g/mol
Exact Mass309.12
IUPAC Name5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1CCCCCCCCCS
InChIInChI=1S/C16H23NOS2/c18-16-14-9-13-20-15(14)8-11-17(16)10-6-4-2-1-3-5-7-12-19/h8-9,11,13,19H,1-7,10,12H2
InChIKeyMCWZWSLKKZYTJA-UHFFFAOYSA-N
XLogP4.72
TPSA22.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one
CID 112557081
4-(4-oxothieno[3,2-c]pyridin-5-yl)butanoic acid
CID 112556973
3-(4-oxothieno[3,2-c]pyridin-5-yl)propanoic acid
CID 112556961
5-ethylthieno[3,2-c]pyridin-4-one
CID 115886528
2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115886517
5-[2-[3-(dimethylamino)propylamino]ethyl]thieno[3,2-c]pyridin-4-one
CID 112557134
5-[2-(2-aminoethoxy)ethyl]thieno[3,2-c]pyridin-4-one
CID 103482414
5-[3-(cyclohexylamino)propyl]thieno[3,2-c]pyridin-4-one
CID 115912118
5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one
CID 115911999
5-(2-piperazin-1-ylethyl)thieno[3,2-c]pyridin-4-one
CID 112557046
5-(2-propan-2-ylsulfonylethyl)thieno[3,2-c]pyridin-4-one
CID 106731694
5-[(E)-but-2-enyl]thieno[3,2-c]pyridin-4-one
CID 116626889

Frequently Asked Questions

What is the IUPAC name of 5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one (CID 105344666) is 5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one is O=c1c2ccsc2ccn1CCCCCCCCCS.
What is the InChIKey of 5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one?
The InChIKey is MCWZWSLKKZYTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS2/c18-16-14-9-13-20-15(14)8-11-17(16)10-6-4-2-1-3-5-7-12-19/h8-9,11,13,19H,1-7,10,12H2.
What are the key properties of 5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one?
5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one has a molecular weight of 309.50 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 105344666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).