8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide

C15H12N2OS2 — CID 126609807

IUPAC8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide
SMILESO=C(NCc1cccs1)c1cnc2c(S)cccc2c1
InChIInChI=1S/C15H12N2OS2/c18-15(17-9-12-4-2-6-20-12)11-7-10-3-1-5-13(19)14(10)16-8-11/h1-8,19H,9H2,(H,17,18)
InChIKeyWOLUVFWMWJEYIQ-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.52
Rot. Bonds3

About 8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide

8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide (PubChem CID 126609807) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide
PubChem CID126609807
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC Name8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide
SMILESO=C(NCc1cccs1)c1cnc2c(S)cccc2c1
InChIInChI=1S/C15H12N2OS2/c18-15(17-9-12-4-2-6-20-12)11-7-10-3-1-5-13(19)14(10)16-8-11/h1-8,19H,9H2,(H,17,18)
InChIKeyWOLUVFWMWJEYIQ-UHFFFAOYSA-N
XLogP3.52
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylpropyl)-8-sulfanylquinoline-3-carboxamide
CID 160735019
2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
CID 53299092
2-methyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782557
2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 112522093
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 2675191
2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 55042664
3-propan-2-yloxy-N-(thiophen-2-ylmethyl)benzamide
CID 17142466
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009
6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558368
6-fluoro-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 115496761
6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 103874120

Frequently Asked Questions

What is the IUPAC name of 8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide (CID 126609807) is 8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide is O=C(NCc1cccs1)c1cnc2c(S)cccc2c1.
What is the InChIKey of 8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide?
The InChIKey is WOLUVFWMWJEYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS2/c18-15(17-9-12-4-2-6-20-12)11-7-10-3-1-5-13(19)14(10)16-8-11/h1-8,19H,9H2,(H,17,18).
What are the key properties of 8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide?
8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 126609807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).