3-ethyl-1-(thiophen-3-ylmethyl)-3,6-dihydro-2H-pyridine

C12H17NS — CID 146661334

IUPAC3-ethyl-1-(thiophen-3-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESCCC1C=CCN(Cc2ccsc2)C1
InChIInChI=1S/C12H17NS/c1-2-11-4-3-6-13(8-11)9-12-5-7-14-10-12/h3-5,7,10-11H,2,6,8-9H2,1H3
InChIKeyKLONNTUPOAKQGU-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.15
Rot. Bonds3

About 3-ethyl-1-(thiophen-3-ylmethyl)-3,6-dihydro-2H-pyridine

3-ethyl-1-(thiophen-3-ylmethyl)-3,6-dihydro-2H-pyridine (PubChem CID 146661334) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 3-ethyl-1-(thiophen-3-ylmethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name3-ethyl-1-(thiophen-3-ylmethyl)-3,6-dihydro-2H-pyridine
PubChem CID146661334
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name3-ethyl-1-(thiophen-3-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESCCC1C=CCN(Cc2ccsc2)C1
InChIInChI=1S/C12H17NS/c1-2-11-4-3-6-13(8-11)9-12-5-7-14-10-12/h3-5,7,10-11H,2,6,8-9H2,1H3
InChIKeyKLONNTUPOAKQGU-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(thiophen-3-ylmethyl)azetidine
CID 131087701
3-ethyl-1-(thiophen-3-ylmethyl)piperidin-4-one
CID 114509019
2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid
CID 116684210
(3S,5R)-5-methyl-1-(thiophen-3-ylmethyl)piperidin-3-ol
CID 131084735
4-bromo-3,3-dimethyl-1-(thiophen-3-ylmethyl)pyrrolidine
CID 130892965
1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
CID 62916311
3-bromo-1-(thiophen-3-ylmethyl)pyrrolidine
CID 80675822
N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide
CID 75518432
N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine
CID 115882623
N'-hydroxy-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentanimidamide
CID 77012125
[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62068989
[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanol
CID 129367813

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(thiophen-3-ylmethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 3-ethyl-1-(thiophen-3-ylmethyl)-3,6-dihydro-2H-pyridine (CID 146661334) is 3-ethyl-1-(thiophen-3-ylmethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 3-ethyl-1-(thiophen-3-ylmethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 3-ethyl-1-(thiophen-3-ylmethyl)-3,6-dihydro-2H-pyridine is CCC1C=CCN(Cc2ccsc2)C1.
What is the InChIKey of 3-ethyl-1-(thiophen-3-ylmethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is KLONNTUPOAKQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-2-11-4-3-6-13(8-11)9-12-5-7-14-10-12/h3-5,7,10-11H,2,6,8-9H2,1H3.
What are the key properties of 3-ethyl-1-(thiophen-3-ylmethyl)-3,6-dihydro-2H-pyridine?
3-ethyl-1-(thiophen-3-ylmethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 207.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(thiophen-3-ylmethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 146661334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).