6-thiopyran-2-ylidene-3,4-dihydro-2H-quinoline

C14H13NS — CID 173426909

IUPAC6-thiopyran-2-ylidene-3,4-dihydro-2H-quinoline
SMILESC1=CSC(=c2ccc3c(c2)CCCN=3)C=C1
InChIInChI=1S/C14H13NS/c1-2-9-16-14(5-1)12-6-7-13-11(10-12)4-3-8-15-13/h1-2,5-7,9-10H,3-4,8H2
InChIKeyRKDWFQATLBIZRW-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.18
Rot. Bonds

About 6-thiopyran-2-ylidene-3,4-dihydro-2H-quinoline

6-thiopyran-2-ylidene-3,4-dihydro-2H-quinoline (PubChem CID 173426909) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is 6-thiopyran-2-ylidene-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-thiopyran-2-ylidene-3,4-dihydro-2H-quinoline
PubChem CID173426909
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC Name6-thiopyran-2-ylidene-3,4-dihydro-2H-quinoline
SMILESC1=CSC(=c2ccc3c(c2)CCCN=3)C=C1
InChIInChI=1S/C14H13NS/c1-2-9-16-14(5-1)12-6-7-13-11(10-12)4-3-8-15-13/h1-2,5-7,9-10H,3-4,8H2
InChIKeyRKDWFQATLBIZRW-UHFFFAOYSA-N
XLogP2.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydro-4,1-benzothiazepine
CID 19810500
5a,9a,10,10a-tetrahydro-1H-thiopyrano[4,3-b]quinoline
CID 57244499
2,3,4,4a,5a,10a-hexahydro-1H-phenothiazine
CID 68454887
1-Prop-2-enylsulfanyl-3,4,6,7-tetrahydroisoquinoline
CID 123451986

Frequently Asked Questions

What is the IUPAC name of 6-thiopyran-2-ylidene-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-thiopyran-2-ylidene-3,4-dihydro-2H-quinoline (CID 173426909) is 6-thiopyran-2-ylidene-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-thiopyran-2-ylidene-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-thiopyran-2-ylidene-3,4-dihydro-2H-quinoline is C1=CSC(=c2ccc3c(c2)CCCN=3)C=C1.
What is the InChIKey of 6-thiopyran-2-ylidene-3,4-dihydro-2H-quinoline?
The InChIKey is RKDWFQATLBIZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS/c1-2-9-16-14(5-1)12-6-7-13-11(10-12)4-3-8-15-13/h1-2,5-7,9-10H,3-4,8H2.
What are the key properties of 6-thiopyran-2-ylidene-3,4-dihydro-2H-quinoline?
6-thiopyran-2-ylidene-3,4-dihydro-2H-quinoline has a molecular weight of 227.33 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiopyran-2-ylidene-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 173426909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).