3-cyclopentylsulfanylisoquinoline

C14H15NS — CID 132603218

IUPAC3-cyclopentylsulfanylisoquinoline
SMILESc1ccc2cc(SC3CCCC3)ncc2c1
InChIInChI=1S/C14H15NS/c1-2-6-12-10-15-14(9-11(12)5-1)16-13-7-3-4-8-13/h1-2,5-6,9-10,13H,3-4,7-8H2
InChIKeyYVUPABWPPLSNOX-UHFFFAOYSA-N
MW229.35 g/mol
LogP4.27
Rot. Bonds2

About 3-cyclopentylsulfanylisoquinoline

3-cyclopentylsulfanylisoquinoline (PubChem CID 132603218) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-cyclopentylsulfanylisoquinoline.

Molecular Properties

Compound Name3-cyclopentylsulfanylisoquinoline
PubChem CID132603218
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name3-cyclopentylsulfanylisoquinoline
SMILESc1ccc2cc(SC3CCCC3)ncc2c1
InChIInChI=1S/C14H15NS/c1-2-6-12-10-15-14(9-11(12)5-1)16-13-7-3-4-8-13/h1-2,5-6,9-10,13H,3-4,7-8H2
InChIKeyYVUPABWPPLSNOX-UHFFFAOYSA-N
XLogP4.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-cyclopentylsulfanylisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-naphthalen-2-ylsulfanylisoquinoline
CID 132603220
2-bromo-6-cyclopentylsulfanylpyridine
CID 63963685
6-cyclohexylsulfanylpyrimidin-4-amine
CID 80885379
(2-cyclohexylsulfanyl-4-pyridinyl)methanamine
CID 60887048
(4-cyclohexylsulfanylpyrimidin-2-yl)hydrazine
CID 80922698
3-piperidin-2-ylisoquinoline
CID 84782420
(6-cyclopentylsulfanyl-2-pyridinyl)methanol
CID 90118065
N-cyclohexylisoquinoline-3-carbohydrazide;hydrochloride
CID 160997611
4-naphthalen-2-ylsulfanylcyclohexan-1-amine
CID 62807959
6-cyclohexylsulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 60884933
4-cyclopentylsulfanylpyrimidine-2-carboxylic acid
CID 130588092
6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80888990

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfanylisoquinoline?
The IUPAC name of 3-cyclopentylsulfanylisoquinoline (CID 132603218) is 3-cyclopentylsulfanylisoquinoline.
What is the SMILES notation for 3-cyclopentylsulfanylisoquinoline?
The canonical SMILES for 3-cyclopentylsulfanylisoquinoline is c1ccc2cc(SC3CCCC3)ncc2c1.
What is the InChIKey of 3-cyclopentylsulfanylisoquinoline?
The InChIKey is YVUPABWPPLSNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c1-2-6-12-10-15-14(9-11(12)5-1)16-13-7-3-4-8-13/h1-2,5-6,9-10,13H,3-4,7-8H2.
What are the key properties of 3-cyclopentylsulfanylisoquinoline?
3-cyclopentylsulfanylisoquinoline has a molecular weight of 229.35 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfanylisoquinoline is sourced from PubChem (CID 132603218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).