1-methyl-4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridine

C11H15NS — CID 14743047

IUPAC1-methyl-4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(Cc2cccs2)CC1
InChIInChI=1S/C11H15NS/c1-12-6-4-10(5-7-12)9-11-3-2-8-13-11/h2-4,8H,5-7,9H2,1H3
InChIKeyTVDXDADXCOCWFW-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.55
Rot. Bonds2

About 1-methyl-4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridine

1-methyl-4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridine (PubChem CID 14743047) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 1-methyl-4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridine
PubChem CID14743047
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name1-methyl-4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(Cc2cccs2)CC1
InChIInChI=1S/C11H15NS/c1-12-6-4-10(5-7-12)9-11-3-2-8-13-11/h2-4,8H,5-7,9H2,1H3
InChIKeyTVDXDADXCOCWFW-UHFFFAOYSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridine (CID 14743047) is 1-methyl-4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridine is CN1CC=C(Cc2cccs2)CC1.
What is the InChIKey of 1-methyl-4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is TVDXDADXCOCWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-12-6-4-10(5-7-12)9-11-3-2-8-13-11/h2-4,8H,5-7,9H2,1H3.
What are the key properties of 1-methyl-4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridine?
1-methyl-4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 193.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 14743047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).