3-methyl-6-(2-methyl-4-methylsulfanylbutyl)-2,3-dihydropyridine

C12H21NS — CID 91098994

IUPAC3-methyl-6-(2-methyl-4-methylsulfanylbutyl)-2,3-dihydropyridine
SMILESCSCCC(C)CC1=NCC(C)C=C1
InChIInChI=1S/C12H21NS/c1-10(6-7-14-3)8-12-5-4-11(2)9-13-12/h4-5,10-11H,6-9H2,1-3H3
InChIKeyRYHRFOZCMOXGQU-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.41
Rot. Bonds5

About 3-methyl-6-(2-methyl-4-methylsulfanylbutyl)-2,3-dihydropyridine

3-methyl-6-(2-methyl-4-methylsulfanylbutyl)-2,3-dihydropyridine (PubChem CID 91098994) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 3-methyl-6-(2-methyl-4-methylsulfanylbutyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name3-methyl-6-(2-methyl-4-methylsulfanylbutyl)-2,3-dihydropyridine
PubChem CID91098994
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name3-methyl-6-(2-methyl-4-methylsulfanylbutyl)-2,3-dihydropyridine
SMILESCSCCC(C)CC1=NCC(C)C=C1
InChIInChI=1S/C12H21NS/c1-10(6-7-14-3)8-12-5-4-11(2)9-13-12/h4-5,10-11H,6-9H2,1-3H3
InChIKeyRYHRFOZCMOXGQU-UHFFFAOYSA-N
XLogP3.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-Methylsulfanylpropyl)-2,3-dihydropyridine
CID 89244056
5-(Cyclohex-3-en-1-ylmethylsulfanyl)-3-methyl-2,3-dihydropyridine
CID 91092083
N-ethyl-6,6a-dihydro-3aH-cyclopenta[b]thiophen-3-imine
CID 91182831
(6E)-5-butan-2-yl-6-but-2-enylidene-2,3-dihydro-1,4-thiazine
CID 123212945
(6E)-5-butan-2-yl-6-prop-2-enylidene-2,3-dihydro-1,4-thiazine
CID 123616047
5-methylsulfanyl-3,3a,4,5-tetrahydro-2H-indole
CID 123767400
(10E)-5-methyl-3,5,6,7-tetrahydro-2H-cycloocta[b][1,4]thiazine
CID 123951837
8-(2-methylpropyl)-5,6-dihydro-2H-thiopyrano[2,3-c]pyridine
CID 137412243
N-methyl-1-(2-methyl-2,3-dihydrothiophen-3-yl)propan-1-imine
CID 163695829
(2E)-6-tert-butyl-N-ethyl-2-[(4S)-4-methylhexan-2-ylidene]-4H-thiopyran-3-imine
CID 166689173
7-Methyl-2-pentan-3-yl-3a,4,7,7a-tetrahydro-1,3-benzothiazole
CID 166963477
(E)-6-ethylsulfanyl-N-(2-methylpropyl)hept-3-en-2-imine
CID 171739942

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2-methyl-4-methylsulfanylbutyl)-2,3-dihydropyridine?
The IUPAC name of 3-methyl-6-(2-methyl-4-methylsulfanylbutyl)-2,3-dihydropyridine (CID 91098994) is 3-methyl-6-(2-methyl-4-methylsulfanylbutyl)-2,3-dihydropyridine.
What is the SMILES notation for 3-methyl-6-(2-methyl-4-methylsulfanylbutyl)-2,3-dihydropyridine?
The canonical SMILES for 3-methyl-6-(2-methyl-4-methylsulfanylbutyl)-2,3-dihydropyridine is CSCCC(C)CC1=NCC(C)C=C1.
What is the InChIKey of 3-methyl-6-(2-methyl-4-methylsulfanylbutyl)-2,3-dihydropyridine?
The InChIKey is RYHRFOZCMOXGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-10(6-7-14-3)8-12-5-4-11(2)9-13-12/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 3-methyl-6-(2-methyl-4-methylsulfanylbutyl)-2,3-dihydropyridine?
3-methyl-6-(2-methyl-4-methylsulfanylbutyl)-2,3-dihydropyridine has a molecular weight of 211.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-methyl-4-methylsulfanylbutyl)-2,3-dihydropyridine is sourced from PubChem (CID 91098994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).