1-methoxysulfanyl-3,4-dihydro-2H-quinoline

C10H13NOS — CID 142496325

IUPAC1-methoxysulfanyl-3,4-dihydro-2H-quinoline
SMILESCOSN1CCCc2ccccc21
InChIInChI=1S/C10H13NOS/c1-12-13-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7H,4,6,8H2,1H3
InChIKeyDKKWSVVNPBUCDT-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.65
Rot. Bonds2

About 1-methoxysulfanyl-3,4-dihydro-2H-quinoline

1-methoxysulfanyl-3,4-dihydro-2H-quinoline (PubChem CID 142496325) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-methoxysulfanyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-methoxysulfanyl-3,4-dihydro-2H-quinoline
PubChem CID142496325
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name1-methoxysulfanyl-3,4-dihydro-2H-quinoline
SMILESCOSN1CCCc2ccccc21
InChIInChI=1S/C10H13NOS/c1-12-13-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7H,4,6,8H2,1H3
InChIKeyDKKWSVVNPBUCDT-UHFFFAOYSA-N
XLogP2.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2,3,4,5-tetrahydro-1-benzazepine
CID 154059825
ethane;1-methyl-3,4-dihydro-2H-quinoline
CID 91236662
methane;1-methyl-3,4-dihydro-2H-quinoline
CID 158932753
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
1-oxido-3,4-dihydro-2H-quinoline
CID 18542548
1-fluoro-3,4-dihydro-2H-quinoline
CID 141340619
5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 147804034
ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037
2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline
CID 157487706
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
methane;1-methyl-2,3,4,5-tetrahydro-1-benzazepine
CID 161272103
5-(3,4-dihydro-2H-quinolin-1-yl)-3,5-dimethylhexan-3-ol
CID 139217240

Frequently Asked Questions

What is the IUPAC name of 1-methoxysulfanyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-methoxysulfanyl-3,4-dihydro-2H-quinoline (CID 142496325) is 1-methoxysulfanyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-methoxysulfanyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-methoxysulfanyl-3,4-dihydro-2H-quinoline is COSN1CCCc2ccccc21.
What is the InChIKey of 1-methoxysulfanyl-3,4-dihydro-2H-quinoline?
The InChIKey is DKKWSVVNPBUCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-12-13-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7H,4,6,8H2,1H3.
What are the key properties of 1-methoxysulfanyl-3,4-dihydro-2H-quinoline?
1-methoxysulfanyl-3,4-dihydro-2H-quinoline has a molecular weight of 195.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxysulfanyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 142496325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).