2-(dimethylamino)-1-(5-methylthiophen-2-yl)ethanone

C9H13NOS — CID 43794758

IUPAC2-(dimethylamino)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN(C)C)s1
InChIInChI=1S/C9H13NOS/c1-7-4-5-9(12-7)8(11)6-10(2)3/h4-5H,6H2,1-3H3
InChIKeyHMGSVUVENCLBQD-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.80
Rot. Bonds3

About 2-(dimethylamino)-1-(5-methylthiophen-2-yl)ethanone

2-(dimethylamino)-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 43794758) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(5-methylthiophen-2-yl)ethanone
PubChem CID43794758
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-(dimethylamino)-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN(C)C)s1
InChIInChI=1S/C9H13NOS/c1-7-4-5-9(12-7)8(11)6-10(2)3/h4-5H,6H2,1-3H3
InChIKeyHMGSVUVENCLBQD-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(5-methylthiophen-2-yl)ethanone (CID 43794758) is 2-(dimethylamino)-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CN(C)C)s1.
What is the InChIKey of 2-(dimethylamino)-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is HMGSVUVENCLBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-7-4-5-9(12-7)8(11)6-10(2)3/h4-5H,6H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(5-methylthiophen-2-yl)ethanone?
2-(dimethylamino)-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 183.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 43794758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).