1-methylsulfanyl-3-(6-methylsulfanyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine

C15H16N2S2 — CID 11551010

IUPAC1-methylsulfanyl-3-(6-methylsulfanyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCSc1cccc(-c2cc3c(c(SC)n2)CCC3)n1
InChIInChI=1S/C15H16N2S2/c1-18-14-8-4-7-12(16-14)13-9-10-5-3-6-11(10)15(17-13)19-2/h4,7-9H,3,5-6H2,1-2H3
InChIKeyAWKXLBWRZCKSOR-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.08
Rot. Bonds3

About 1-methylsulfanyl-3-(6-methylsulfanyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine

1-methylsulfanyl-3-(6-methylsulfanyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine (PubChem CID 11551010) has the molecular formula C15H16N2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-methylsulfanyl-3-(6-methylsulfanyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine.

Molecular Properties

Compound Name1-methylsulfanyl-3-(6-methylsulfanyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine
PubChem CID11551010
Molecular FormulaC15H16N2S2
Molecular Weight288.44 g/mol
Exact Mass288.08
IUPAC Name1-methylsulfanyl-3-(6-methylsulfanyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine
SMILESCSc1cccc(-c2cc3c(c(SC)n2)CCC3)n1
InChIInChI=1S/C15H16N2S2/c1-18-14-8-4-7-12(16-14)13-9-10-5-3-6-11(10)15(17-13)19-2/h4,7-9H,3,5-6H2,1-2H3
InChIKeyAWKXLBWRZCKSOR-UHFFFAOYSA-N
XLogP4.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dimethyl({2-[(6-phenylpyridin-2-yl)sulfanyl]ethyl})amine
CID 9881600
4-Methyl-2-(methylsulfanyl)-6-phenylpyridine-3-carbonitrile
CID 710280
2-(methylsulfanyl)-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 845556
2-methylsulfanyl-4-[(E)-2-phenylethenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 5704449
3-(4-Fluorophenyl)-1-(methylthio)-6,7-dihydro-5hcyclopenta[c]pyridine
CID 177860454
1-methylsulfanyl-3-(1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 397514
1-methylsulfonyl-3-(1-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5,6,7,8-tetrahydroisoquinoline
CID 397516
1-methylsulfanyl-3-(1-methylsulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
CID 397519
1-methylsulfonyl-3-(1-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 397520
1-(methylsulfonyl)-3-[1-(methylsulfonyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine
CID 397521
2-Methylsulfanyl-6-phenylpyridine
CID 11481090
1,1'-Bis(methylsulfanyl)-5,5',6,6',7,7',8,8'-octahydro-3,3'-biisoquinoline
CID 15456489

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-3-(6-methylsulfanyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine?
The IUPAC name of 1-methylsulfanyl-3-(6-methylsulfanyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine (CID 11551010) is 1-methylsulfanyl-3-(6-methylsulfanyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine.
What is the SMILES notation for 1-methylsulfanyl-3-(6-methylsulfanyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine?
The canonical SMILES for 1-methylsulfanyl-3-(6-methylsulfanyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine is CSc1cccc(-c2cc3c(c(SC)n2)CCC3)n1.
What is the InChIKey of 1-methylsulfanyl-3-(6-methylsulfanyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine?
The InChIKey is AWKXLBWRZCKSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S2/c1-18-14-8-4-7-12(16-14)13-9-10-5-3-6-11(10)15(17-13)19-2/h4,7-9H,3,5-6H2,1-2H3.
What are the key properties of 1-methylsulfanyl-3-(6-methylsulfanyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine?
1-methylsulfanyl-3-(6-methylsulfanyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine has a molecular weight of 288.44 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-3-(6-methylsulfanyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine is sourced from PubChem (CID 11551010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).