4-(3-methylthiophen-2-yl)-1,2,3,6-tetrahydropyridine

C10H13NS — CID 23149891

IUPAC4-(3-methylthiophen-2-yl)-1,2,3,6-tetrahydropyridine
SMILESCc1ccsc1C1=CCNCC1
InChIInChI=1S/C10H13NS/c1-8-4-7-12-10(8)9-2-5-11-6-3-9/h2,4,7,11H,3,5-6H2,1H3
InChIKeyUSENTZJUVDLZSM-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.43
Rot. Bonds1

About 4-(3-methylthiophen-2-yl)-1,2,3,6-tetrahydropyridine

4-(3-methylthiophen-2-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 23149891) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 4-(3-methylthiophen-2-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(3-methylthiophen-2-yl)-1,2,3,6-tetrahydropyridine
PubChem CID23149891
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name4-(3-methylthiophen-2-yl)-1,2,3,6-tetrahydropyridine
SMILESCc1ccsc1C1=CCNCC1
InChIInChI=1S/C10H13NS/c1-8-4-7-12-10(8)9-2-5-11-6-3-9/h2,4,7,11H,3,5-6H2,1H3
InChIKeyUSENTZJUVDLZSM-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylthiophen-2-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(3-methylthiophen-2-yl)-1,2,3,6-tetrahydropyridine (CID 23149891) is 4-(3-methylthiophen-2-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(3-methylthiophen-2-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(3-methylthiophen-2-yl)-1,2,3,6-tetrahydropyridine is Cc1ccsc1C1=CCNCC1.
What is the InChIKey of 4-(3-methylthiophen-2-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is USENTZJUVDLZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-8-4-7-12-10(8)9-2-5-11-6-3-9/h2,4,7,11H,3,5-6H2,1H3.
What are the key properties of 4-(3-methylthiophen-2-yl)-1,2,3,6-tetrahydropyridine?
4-(3-methylthiophen-2-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 179.29 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylthiophen-2-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 23149891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).