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

C14H22N2OS — CID 21472003

IUPAC1-[3-[2-(dimethylamino)ethyl]-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
SMILESCC(=O)N1CCc2c(sc(C)c2CCN(C)C)C1
InChIInChI=1S/C14H22N2OS/c1-10-12(5-7-15(3)4)13-6-8-16(11(2)17)9-14(13)18-10/h5-9H2,1-4H3
InChIKeyYOHHZOWQWPVEEF-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.07
Rot. Bonds3

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

1-[3-[2-(dimethylamino)ethyl]-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone (PubChem CID 21472003) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[3-[2-(dimethylamino)ethyl]-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-(dimethylamino)ethyl]-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
PubChem CID21472003
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[3-[2-(dimethylamino)ethyl]-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
SMILESCC(=O)N1CCc2c(sc(C)c2CCN(C)C)C1
InChIInChI=1S/C14H22N2OS/c1-10-12(5-7-15(3)4)13-6-8-16(11(2)17)9-14(13)18-10/h5-9H2,1-4H3
InChIKeyYOHHZOWQWPVEEF-UHFFFAOYSA-N
XLogP2.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(dimethylamino)ethyl]-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone?
The IUPAC name of 1-[3-[2-(dimethylamino)ethyl]-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone (CID 21472003) is 1-[3-[2-(dimethylamino)ethyl]-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone.
What is the SMILES notation for 1-[3-[2-(dimethylamino)ethyl]-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone?
The canonical SMILES for 1-[3-[2-(dimethylamino)ethyl]-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone is CC(=O)N1CCc2c(sc(C)c2CCN(C)C)C1.
What is the InChIKey of 1-[3-[2-(dimethylamino)ethyl]-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone?
The InChIKey is YOHHZOWQWPVEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10-12(5-7-15(3)4)13-6-8-16(11(2)17)9-14(13)18-10/h5-9H2,1-4H3.
What are the key properties of 1-[3-[2-(dimethylamino)ethyl]-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone?
1-[3-[2-(dimethylamino)ethyl]-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone has a molecular weight of 266.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(dimethylamino)ethyl]-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone is sourced from PubChem (CID 21472003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).