5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine

C7H13NS — CID 142155613

IUPAC5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
SMILESCSC1=C(C)CNCC1
InChIInChI=1S/C7H13NS/c1-6-5-8-4-3-7(6)9-2/h8H,3-5H2,1-2H3
InChIKeyHTHPPJWFRRJBBG-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.62
Rot. Bonds1

About 5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine

5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine (PubChem CID 142155613) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
PubChem CID142155613
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
SMILESCSC1=C(C)CNCC1
InChIInChI=1S/C7H13NS/c1-6-5-8-4-3-7(6)9-2/h8H,3-5H2,1-2H3
InChIKeyHTHPPJWFRRJBBG-UHFFFAOYSA-N
XLogP1.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-Dimethyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 89010968
3,3,5-trimethyl-4-methylsulfanyl-2,6-dihydro-1H-pyridine
CID 90987188
4-Methyl-5-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 123280119
5-Ethynylsulfanyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 123286494
4-Methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 123530657
Ethane;5-ethenyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 141953486
5-Ethenyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 141953487
Ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 142155612
4-Ethylsulfanyl-5-methyl-1,2,3,6-tetrahydropyridine
CID 143138217
4-methyl-5-methylsulfanyl-2,3,6,7-tetrahydro-1H-azepine
CID 169881237
Dimethyl-sulfanyl-(1,2,3,6-tetrahydropyridin-4-yl)-lambda4-sulfane
CID 169918262
4-(Methylsulfanylmethyl)-1,2,3,6-tetrahydropyridine
CID 117125464

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine (CID 142155613) is 5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine is CSC1=C(C)CNCC1.
What is the InChIKey of 5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The InChIKey is HTHPPJWFRRJBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-6-5-8-4-3-7(6)9-2/h8H,3-5H2,1-2H3.
What are the key properties of 5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine has a molecular weight of 143.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 142155613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).