2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone

C15H19NOS — CID 79745664

IUPAC2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
SMILESO=C(CSC1CCCC1)C1CCc2cccnc21
InChIInChI=1S/C15H19NOS/c17-14(10-18-12-5-1-2-6-12)13-8-7-11-4-3-9-16-15(11)13/h3-4,9,12-13H,1-2,5-8,10H2
InChIKeyXUXPSVQISATHJT-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.36
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone

2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone (PubChem CID 79745664) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
PubChem CID79745664
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
SMILESO=C(CSC1CCCC1)C1CCc2cccnc21
InChIInChI=1S/C15H19NOS/c17-14(10-18-12-5-1-2-6-12)13-8-7-11-4-3-9-16-15(11)13/h3-4,9,12-13H,1-2,5-8,10H2
InChIKeyXUXPSVQISATHJT-UHFFFAOYSA-N
XLogP3.36
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79745816
2-butan-2-ylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
CID 79745420
3-cyclohexyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 115782065
2-(2,6-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
CID 115783755
4-chloro-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 79745424
[1-(aminomethyl)cyclobutyl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 116600320
2-methylsulfonyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 115782115
2-(3-fluorophenyl)sulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 79731702
1-(5,6,7,8-tetrahydroquinolin-8-yl)-2-(thian-4-yl)ethanone
CID 105114234
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl(2,3-dihydro-1H-inden-2-yl)methanone
CID 79733260
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 79745653
4-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylbutan-1-one
CID 116594877

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone?
The IUPAC name of 2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone (CID 79745664) is 2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone is O=C(CSC1CCCC1)C1CCc2cccnc21.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone?
The InChIKey is XUXPSVQISATHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c17-14(10-18-12-5-1-2-6-12)13-8-7-11-4-3-9-16-15(11)13/h3-4,9,12-13H,1-2,5-8,10H2.
What are the key properties of 2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone?
2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone has a molecular weight of 261.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone is sourced from PubChem (CID 79745664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).