6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one

C11H13NOS — CID 82283516

IUPAC6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCS)ccc2N1
InChIInChI=1S/C11H13NOS/c13-11-4-2-9-7-8(5-6-14)1-3-10(9)12-11/h1,3,7,14H,2,4-6H2,(H,12,13)
InChIKeyTURXAGKJTARMPV-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.04
Rot. Bonds2

About 6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one

6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82283516) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID82283516
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCS)ccc2N1
InChIInChI=1S/C11H13NOS/c13-11-4-2-9-7-8(5-6-14)1-3-10(9)12-11/h1,3,7,14H,2,4-6H2,(H,12,13)
InChIKeyTURXAGKJTARMPV-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
6-[(sulfanylmethylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115227915
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride
CID 82488863
7-(2-aminoethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82190756
6-(3-aminopentyl)-3,4-dihydro-1H-quinolin-2-one
CID 82475336
6-(2-piperidin-4-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116925681
methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid
CID 115171257
(E)-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pent-2-enoic acid
CID 116865917
6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115215832
6-(2-aminopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82190762
2-oxo-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 115175903

Frequently Asked Questions

What is the IUPAC name of 6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one (CID 82283516) is 6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(CCS)ccc2N1.
What is the InChIKey of 6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is TURXAGKJTARMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c13-11-4-2-9-7-8(5-6-14)1-3-10(9)12-11/h1,3,7,14H,2,4-6H2,(H,12,13).
What are the key properties of 6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one?
6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 207.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82283516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).