6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine

C8H15NS — CID 123995452

IUPAC6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine
SMILESCCSC1=CCCCN1C
InChIInChI=1S/C8H15NS/c1-3-10-8-6-4-5-7-9(8)2/h6H,3-5,7H2,1-2H3
InChIKeyZKTNXTMXKFFPON-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.31
Rot. Bonds2

About 6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine

6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine (PubChem CID 123995452) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine
PubChem CID123995452
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine
SMILESCCSC1=CCCCN1C
InChIInChI=1S/C8H15NS/c1-3-10-8-6-4-5-7-9(8)2/h6H,3-5,7H2,1-2H3
InChIKeyZKTNXTMXKFFPON-UHFFFAOYSA-N
XLogP2.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-Azepine, 2,3,4,5-tetrahydro-1-methyl-7-(methylthio)-
CID 11665451
Pyridine, 1,2,3,4-tetrahydro-1-methyl-6-(methylthio)-
CID 12255910
(E)-1-ethylsulfanyl-N,N-dimethylhex-1-en-1-amine
CID 134923118
(E)-N,N-diethyl-1-ethylsulfanylhex-1-en-1-amine
CID 134923136
(E)-N,N-diethyl-1-ethylsulfanylbut-1-en-1-amine
CID 134923287
2-Butylidene-3-methyl-1,3-thiazinane
CID 123302051
(Z)-N-ethyl-N-propyl-1-propylsulfanylbut-1-en-1-amine
CID 139538978
N-ethyl-N-methyl-3,4-dihydro-2H-thiopyran-6-amine
CID 142050819
N-ethyl-N-methyl-2,3-dihydrothiopyran-6-amine
CID 142050904
1-methyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine
CID 148813193

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine (CID 123995452) is 6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine is CCSC1=CCCCN1C.
What is the InChIKey of 6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine?
The InChIKey is ZKTNXTMXKFFPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-10-8-6-4-5-7-9(8)2/h6H,3-5,7H2,1-2H3.
What are the key properties of 6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine?
6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine has a molecular weight of 157.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-1-methyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 123995452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).