3a,4,7,7a-tetrahydrothieno[2,3-c]pyridin-5-ylmethanamine

C8H12N2S — CID 90689950

IUPAC3a,4,7,7a-tetrahydrothieno[2,3-c]pyridin-5-ylmethanamine
SMILESNCC1=NCC2SC=CC2C1
InChIInChI=1S/C8H12N2S/c9-4-7-3-6-1-2-11-8(6)5-10-7/h1-2,6,8H,3-5,9H2
InChIKeyKRJXIFHISLCKCH-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.04
Rot. Bonds1

About 3a,4,7,7a-tetrahydrothieno[2,3-c]pyridin-5-ylmethanamine

3a,4,7,7a-tetrahydrothieno[2,3-c]pyridin-5-ylmethanamine (PubChem CID 90689950) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 3a,4,7,7a-tetrahydrothieno[2,3-c]pyridin-5-ylmethanamine.

Molecular Properties

Compound Name3a,4,7,7a-tetrahydrothieno[2,3-c]pyridin-5-ylmethanamine
PubChem CID90689950
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name3a,4,7,7a-tetrahydrothieno[2,3-c]pyridin-5-ylmethanamine
SMILESNCC1=NCC2SC=CC2C1
InChIInChI=1S/C8H12N2S/c9-4-7-3-6-1-2-11-8(6)5-10-7/h1-2,6,8H,3-5,9H2
InChIKeyKRJXIFHISLCKCH-UHFFFAOYSA-N
XLogP1.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methylsulfanyl-3,3a,4,5-tetrahydro-2H-indole
CID 123767400
2,3,3a,4-Tetrahydrothieno[2,3-c]pyridin-5-ylmethanamine
CID 140437519

Frequently Asked Questions

What is the IUPAC name of 3a,4,7,7a-tetrahydrothieno[2,3-c]pyridin-5-ylmethanamine?
The IUPAC name of 3a,4,7,7a-tetrahydrothieno[2,3-c]pyridin-5-ylmethanamine (CID 90689950) is 3a,4,7,7a-tetrahydrothieno[2,3-c]pyridin-5-ylmethanamine.
What is the SMILES notation for 3a,4,7,7a-tetrahydrothieno[2,3-c]pyridin-5-ylmethanamine?
The canonical SMILES for 3a,4,7,7a-tetrahydrothieno[2,3-c]pyridin-5-ylmethanamine is NCC1=NCC2SC=CC2C1.
What is the InChIKey of 3a,4,7,7a-tetrahydrothieno[2,3-c]pyridin-5-ylmethanamine?
The InChIKey is KRJXIFHISLCKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c9-4-7-3-6-1-2-11-8(6)5-10-7/h1-2,6,8H,3-5,9H2.
What are the key properties of 3a,4,7,7a-tetrahydrothieno[2,3-c]pyridin-5-ylmethanamine?
3a,4,7,7a-tetrahydrothieno[2,3-c]pyridin-5-ylmethanamine has a molecular weight of 168.26 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,7,7a-tetrahydrothieno[2,3-c]pyridin-5-ylmethanamine is sourced from PubChem (CID 90689950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).