2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylpyridine

C12H13NS — CID 58174524

IUPAC2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylpyridine
SMILESC=C1CCC(C)=C1Sc1ccccn1
InChIInChI=1S/C12H13NS/c1-9-6-7-10(2)12(9)14-11-5-3-4-8-13-11/h3-5,8H,1,6-7H2,2H3
InChIKeyUUDKCIYCPKJAAI-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.80
Rot. Bonds2

About 2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylpyridine

2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylpyridine (PubChem CID 58174524) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylpyridine.

Molecular Properties

Compound Name2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylpyridine
PubChem CID58174524
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylpyridine
SMILESC=C1CCC(C)=C1Sc1ccccn1
InChIInChI=1S/C12H13NS/c1-9-6-7-10(2)12(9)14-11-5-3-4-8-13-11/h3-5,8H,1,6-7H2,2H3
InChIKeyUUDKCIYCPKJAAI-UHFFFAOYSA-N
XLogP3.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Phenylsulfanyl)pyridin-3-amine
CID 819361
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2-Benzylsulfanyl-1-oxidopyridin-1-ium
CID 501066
2-Phenylthiopyridine
CID 817760
3-Mercaptopyridine
CID 27691
Pyridine, 2-(methylthio)-
CID 29076
Pyridine, 3-((methylthio)methyl)-
CID 3053474
2-(Benzenesulfonyl)pyridine
CID 289829
2-(Methylsulfonyl)pyridine
CID 98667
3-(4-Methylthiophen-3-yl)pyridine
CID 11378800
3-(3-Methylthiophen-2-yl)pyridine
CID 23646069
Pyridine, 2-(4-trifluoromethylbenzylthio)-
CID 556666

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylpyridine?
The IUPAC name of 2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylpyridine (CID 58174524) is 2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylpyridine.
What is the SMILES notation for 2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylpyridine?
The canonical SMILES for 2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylpyridine is C=C1CCC(C)=C1Sc1ccccn1.
What is the InChIKey of 2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylpyridine?
The InChIKey is UUDKCIYCPKJAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-9-6-7-10(2)12(9)14-11-5-3-4-8-13-11/h3-5,8H,1,6-7H2,2H3.
What are the key properties of 2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylpyridine?
2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylpyridine has a molecular weight of 203.31 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-methylidenecyclopenten-1-yl)sulfanylpyridine is sourced from PubChem (CID 58174524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).