1-[5-[(dimethylamino)methyl]thiophen-2-yl]ethanone

C9H13NOS — CID 83817270

IUPAC1-[5-[(dimethylamino)methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(CN(C)C)s1
InChIInChI=1S/C9H13NOS/c1-7(11)9-5-4-8(12-9)6-10(2)3/h4-5H,6H2,1-3H3
InChIKeyUZIFYYCBUBWCFQ-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.01
Rot. Bonds3

About 1-[5-[(dimethylamino)methyl]thiophen-2-yl]ethanone

1-[5-[(dimethylamino)methyl]thiophen-2-yl]ethanone (PubChem CID 83817270) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-[5-[(dimethylamino)methyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(dimethylamino)methyl]thiophen-2-yl]ethanone
PubChem CID83817270
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name1-[5-[(dimethylamino)methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(CN(C)C)s1
InChIInChI=1S/C9H13NOS/c1-7(11)9-5-4-8(12-9)6-10(2)3/h4-5H,6H2,1-3H3
InChIKeyUZIFYYCBUBWCFQ-UHFFFAOYSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(dimethylamino)methyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[(dimethylamino)methyl]thiophen-2-yl]ethanone (CID 83817270) is 1-[5-[(dimethylamino)methyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[(dimethylamino)methyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[(dimethylamino)methyl]thiophen-2-yl]ethanone is CC(=O)c1ccc(CN(C)C)s1.
What is the InChIKey of 1-[5-[(dimethylamino)methyl]thiophen-2-yl]ethanone?
The InChIKey is UZIFYYCBUBWCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-7(11)9-5-4-8(12-9)6-10(2)3/h4-5H,6H2,1-3H3.
What are the key properties of 1-[5-[(dimethylamino)methyl]thiophen-2-yl]ethanone?
1-[5-[(dimethylamino)methyl]thiophen-2-yl]ethanone has a molecular weight of 183.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(dimethylamino)methyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 83817270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).