5-methyl-4-(2-methylbut-1-enylsulfanyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine

C14H25NS — CID 170635423

IUPAC5-methyl-4-(2-methylbut-1-enylsulfanyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCCC(C)=CSC1=C(C)CN(C(C)C)CC1
InChIInChI=1S/C14H25NS/c1-6-12(4)10-16-14-7-8-15(11(2)3)9-13(14)5/h10-11H,6-9H2,1-5H3
InChIKeyGXUHRZVQMDZYJE-UHFFFAOYSA-N
MW239.43 g/mol
LogP4.42
Rot. Bonds4

About 5-methyl-4-(2-methylbut-1-enylsulfanyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine

5-methyl-4-(2-methylbut-1-enylsulfanyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 170635423) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 5-methyl-4-(2-methylbut-1-enylsulfanyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-methyl-4-(2-methylbut-1-enylsulfanyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID170635423
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name5-methyl-4-(2-methylbut-1-enylsulfanyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCCC(C)=CSC1=C(C)CN(C(C)C)CC1
InChIInChI=1S/C14H25NS/c1-6-12(4)10-16-14-7-8-15(11(2)3)9-13(14)5/h10-11H,6-9H2,1-5H3
InChIKeyGXUHRZVQMDZYJE-UHFFFAOYSA-N
XLogP4.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-4-(2-methylbut-1-enylsulfanyl)-1-propan-2-yl-3,6-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

4-[(Ethylthio)methyl]-1-methyl-1,2,3,6-tetrahydropyridine
CID 14442215
1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 14442222
5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 19933889
1-methyl-4-(propylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 14442223
1-ethyl-4-(ethylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 14442224
1-methyl-4-(2-methylsulfanylethyl)-3,6-dihydro-2H-pyridine
CID 14442226
1-methyl-4-(1-methylsulfanylethyl)-3,6-dihydro-2H-pyridine
CID 14442227
4-(ethylsulfanylmethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium iodide
CID 14442231
4-(ethylsulfanylmethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium
CID 14442232
1-methyl-5-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 19933891
1,5-dimethyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine
CID 21345779
(3S)-N-ethyl-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine
CID 89053219

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylbut-1-enylsulfanyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-methyl-4-(2-methylbut-1-enylsulfanyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine (CID 170635423) is 5-methyl-4-(2-methylbut-1-enylsulfanyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-methyl-4-(2-methylbut-1-enylsulfanyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-methyl-4-(2-methylbut-1-enylsulfanyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine is CCC(C)=CSC1=C(C)CN(C(C)C)CC1.
What is the InChIKey of 5-methyl-4-(2-methylbut-1-enylsulfanyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is GXUHRZVQMDZYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-6-12(4)10-16-14-7-8-15(11(2)3)9-13(14)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 5-methyl-4-(2-methylbut-1-enylsulfanyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
5-methyl-4-(2-methylbut-1-enylsulfanyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 239.43 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylbut-1-enylsulfanyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 170635423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).