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

C8H15NS — CID 89010968

IUPAC5,6-dimethyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
SMILESCSC1=C(C)C(C)NCC1
InChIInChI=1S/C8H15NS/c1-6-7(2)9-5-4-8(6)10-3/h7,9H,4-5H2,1-3H3
InChIKeyDIADXUSVHZOSGT-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.01
Rot. Bonds1

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

5,6-dimethyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine (PubChem CID 89010968) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 5,6-dimethyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5,6-dimethyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
PubChem CID89010968
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name5,6-dimethyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
SMILESCSC1=C(C)C(C)NCC1
InChIInChI=1S/C8H15NS/c1-6-7(2)9-5-4-8(6)10-3/h7,9H,4-5H2,1-3H3
InChIKeyDIADXUSVHZOSGT-UHFFFAOYSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 89010970
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
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
5-Ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 143839520
4-methyl-N-(1-methylsulfanylpropan-2-yl)pent-3-en-1-amine
CID 155315040
4-methyl-5-methylsulfanyl-2,3,6,7-tetrahydro-1H-azepine
CID 169881237
1-tert-butylsulfanyl-4-methyl-N-propylpent-3-en-2-amine
CID 79177288
1-ethylsulfanyl-4-methyl-N-propylpent-3-en-2-amine
CID 79178606

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5,6-dimethyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine (CID 89010968) is 5,6-dimethyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5,6-dimethyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5,6-dimethyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine is CSC1=C(C)C(C)NCC1.
What is the InChIKey of 5,6-dimethyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
The InChIKey is DIADXUSVHZOSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-6-7(2)9-5-4-8(6)10-3/h7,9H,4-5H2,1-3H3.
What are the key properties of 5,6-dimethyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?
5,6-dimethyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine has a molecular weight of 157.28 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 89010968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).