[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine

C16H19N3S — CID 102925288

IUPAC[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
SMILESCc1cc(C)nc(Sc2nc3c(cc2CN)CCC3)c1
InChIInChI=1S/C16H19N3S/c1-10-6-11(2)18-15(7-10)20-16-13(9-17)8-12-4-3-5-14(12)19-16/h6-8H,3-5,9,17H2,1-2H3
InChIKeyYXFVKMMCAMWQTP-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.19
Rot. Bonds3

About [2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine

[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine (PubChem CID 102925288) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is [2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
PubChem CID102925288
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
SMILESCc1cc(C)nc(Sc2nc3c(cc2CN)CCC3)c1
InChIInChI=1S/C16H19N3S/c1-10-6-11(2)18-15(7-10)20-16-13(9-17)8-12-4-3-5-14(12)19-16/h6-8H,3-5,9,17H2,1-2H3
InChIKeyYXFVKMMCAMWQTP-UHFFFAOYSA-N
XLogP3.19
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine with MolForge

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Related Compounds

2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 102925983
[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
CID 104603462
[2-(1H-imidazol-2-ylsulfanyl)-5,6,7,8-tetrahydroquinolin-3-yl]methanamine
CID 114000829
[3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrazin-2-yl]methanamine
CID 102925265
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine
CID 107931496
3-(aminomethyl)-5,6,7,8-tetrahydroquinolin-2-amine
CID 62104718
1-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-methylamino]propan-2-ol
CID 62332661
[2-(5-bromo-2,3-difluorophenoxy)-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
CID 107097304
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102924478
(2S)-2-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]amino]-3-methylbutan-1-ol
CID 79254010
[2-(3,4-dimethylcyclohexyl)oxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine
CID 64745498
(2-heptoxy-5,6,7,8-tetrahydroquinolin-3-yl)methanamine
CID 63457909

Frequently Asked Questions

What is the IUPAC name of [2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine?
The IUPAC name of [2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine (CID 102925288) is [2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine.
What is the SMILES notation for [2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine?
The canonical SMILES for [2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine is Cc1cc(C)nc(Sc2nc3c(cc2CN)CCC3)c1.
What is the InChIKey of [2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine?
The InChIKey is YXFVKMMCAMWQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-10-6-11(2)18-15(7-10)20-16-13(9-17)8-12-4-3-5-14(12)19-16/h6-8H,3-5,9,17H2,1-2H3.
What are the key properties of [2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine?
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine has a molecular weight of 285.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]methanamine is sourced from PubChem (CID 102925288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).