1-[3-(aminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone

C10H14N2OS — CID 82508147

IUPAC1-[3-(aminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
SMILESCC(=O)N1CCc2c(CN)csc2C1
InChIInChI=1S/C10H14N2OS/c1-7(13)12-3-2-9-8(4-11)6-14-10(9)5-12/h6H,2-5,11H2,1H3
InChIKeyPRTBDQBGARVJEP-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.11
Rot. Bonds1

About 1-[3-(aminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone

1-[3-(aminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone (PubChem CID 82508147) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[3-(aminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
PubChem CID82508147
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-[3-(aminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
SMILESCC(=O)N1CCc2c(CN)csc2C1
InChIInChI=1S/C10H14N2OS/c1-7(13)12-3-2-9-8(4-11)6-14-10(9)5-12/h6H,2-5,11H2,1H3
InChIKeyPRTBDQBGARVJEP-UHFFFAOYSA-N
XLogP1.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone?
The IUPAC name of 1-[3-(aminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone (CID 82508147) is 1-[3-(aminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[3-(aminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[3-(aminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone is CC(=O)N1CCc2c(CN)csc2C1.
What is the InChIKey of 1-[3-(aminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone?
The InChIKey is PRTBDQBGARVJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7(13)12-3-2-9-8(4-11)6-14-10(9)5-12/h6H,2-5,11H2,1H3.
What are the key properties of 1-[3-(aminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone?
1-[3-(aminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone has a molecular weight of 210.30 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone is sourced from PubChem (CID 82508147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).