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

C8H15NS — CID 143138217

IUPAC4-ethylsulfanyl-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCCSC1=C(C)CNCC1
InChIInChI=1S/C8H15NS/c1-3-10-8-4-5-9-6-7(8)2/h9H,3-6H2,1-2H3
InChIKeyOYUMFVFKYMUBSE-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.01
Rot. Bonds2

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

4-ethylsulfanyl-5-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 143138217) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 4-ethylsulfanyl-5-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-ethylsulfanyl-5-methyl-1,2,3,6-tetrahydropyridine
PubChem CID143138217
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name4-ethylsulfanyl-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCCSC1=C(C)CNCC1
InChIInChI=1S/C8H15NS/c1-3-10-8-4-5-9-6-7(8)2/h9H,3-6H2,1-2H3
InChIKeyOYUMFVFKYMUBSE-UHFFFAOYSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

5,6-di(propan-2-yl)-3,4-dihydro-2H-1,4-thiazine
CID 57632397
2,3,4,5,6,7-Hexahydrothieno[3,2-c]pyridine
CID 89006790
5,6-Dimethyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 89010968
6-methyl-5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine
CID 89036740
5-methyl-6-propan-2-yl-3,4-dihydro-2H-1,4-thiazine
CID 89041216
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-Methyl-5-prop-1-en-2-ylsulfanyl-1,2,3,6-tetrahydropyridine
CID 126687656
5-Ethenyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 141953487
Ethane;5-ethenyl-4-ethylsulfanyl-1,2,3,6-tetrahydropyridine
CID 141953489
Ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 142155612

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-5-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-ethylsulfanyl-5-methyl-1,2,3,6-tetrahydropyridine (CID 143138217) is 4-ethylsulfanyl-5-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-ethylsulfanyl-5-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-ethylsulfanyl-5-methyl-1,2,3,6-tetrahydropyridine is CCSC1=C(C)CNCC1.
What is the InChIKey of 4-ethylsulfanyl-5-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is OYUMFVFKYMUBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-10-8-4-5-9-6-7(8)2/h9H,3-6H2,1-2H3.
What are the key properties of 4-ethylsulfanyl-5-methyl-1,2,3,6-tetrahydropyridine?
4-ethylsulfanyl-5-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 157.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-5-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 143138217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).