6-cyclopropyl-5-ethenyl-4-methylsulfanyl-2,3-dihydropyridine

C11H15NS — CID 177183317

IUPAC6-cyclopropyl-5-ethenyl-4-methylsulfanyl-2,3-dihydropyridine
SMILESC=CC1=C(SC)CCN=C1C1CC1
InChIInChI=1S/C11H15NS/c1-3-9-10(13-2)6-7-12-11(9)8-4-5-8/h3,8H,1,4-7H2,2H3
InChIKeyINBTZKUBRPMSSD-UHFFFAOYSA-N
MW193.31 g/mol
LogP3.04
Rot. Bonds3

About 6-cyclopropyl-5-ethenyl-4-methylsulfanyl-2,3-dihydropyridine

6-cyclopropyl-5-ethenyl-4-methylsulfanyl-2,3-dihydropyridine (PubChem CID 177183317) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 6-cyclopropyl-5-ethenyl-4-methylsulfanyl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-cyclopropyl-5-ethenyl-4-methylsulfanyl-2,3-dihydropyridine
PubChem CID177183317
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name6-cyclopropyl-5-ethenyl-4-methylsulfanyl-2,3-dihydropyridine
SMILESC=CC1=C(SC)CCN=C1C1CC1
InChIInChI=1S/C11H15NS/c1-3-9-10(13-2)6-7-12-11(9)8-4-5-8/h3,8H,1,4-7H2,2H3
InChIKeyINBTZKUBRPMSSD-UHFFFAOYSA-N
XLogP3.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(10E)-5-methyl-3,5,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine
CID 123951837
5-Ethenyl-6-ethyl-4-methylsulfanyl-2,3-dihydropyridine
CID 177183357
(6Z)-6-ethylidene-N-methyl-4-[(Z)-2-methylsulfanyl-5-propyloct-1-enyl]cyclohexa-2,4-dien-1-imine
CID 145557831

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-ethenyl-4-methylsulfanyl-2,3-dihydropyridine?
The IUPAC name of 6-cyclopropyl-5-ethenyl-4-methylsulfanyl-2,3-dihydropyridine (CID 177183317) is 6-cyclopropyl-5-ethenyl-4-methylsulfanyl-2,3-dihydropyridine.
What is the SMILES notation for 6-cyclopropyl-5-ethenyl-4-methylsulfanyl-2,3-dihydropyridine?
The canonical SMILES for 6-cyclopropyl-5-ethenyl-4-methylsulfanyl-2,3-dihydropyridine is C=CC1=C(SC)CCN=C1C1CC1.
What is the InChIKey of 6-cyclopropyl-5-ethenyl-4-methylsulfanyl-2,3-dihydropyridine?
The InChIKey is INBTZKUBRPMSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-3-9-10(13-2)6-7-12-11(9)8-4-5-8/h3,8H,1,4-7H2,2H3.
What are the key properties of 6-cyclopropyl-5-ethenyl-4-methylsulfanyl-2,3-dihydropyridine?
6-cyclopropyl-5-ethenyl-4-methylsulfanyl-2,3-dihydropyridine has a molecular weight of 193.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-ethenyl-4-methylsulfanyl-2,3-dihydropyridine is sourced from PubChem (CID 177183317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).