1-[5-(dimethylamino)thiophen-2-yl]-2-methylpropan-1-one

C10H15NOS — CID 83880201

IUPAC1-[5-(dimethylamino)thiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(N(C)C)s1
InChIInChI=1S/C10H15NOS/c1-7(2)10(12)8-5-6-9(13-8)11(3)4/h5-7H,1-4H3
InChIKeyLPMBMHAPQZGMEM-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.65
Rot. Bonds3

About 1-[5-(dimethylamino)thiophen-2-yl]-2-methylpropan-1-one

1-[5-(dimethylamino)thiophen-2-yl]-2-methylpropan-1-one (PubChem CID 83880201) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-[5-(dimethylamino)thiophen-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[5-(dimethylamino)thiophen-2-yl]-2-methylpropan-1-one
PubChem CID83880201
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name1-[5-(dimethylamino)thiophen-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(N(C)C)s1
InChIInChI=1S/C10H15NOS/c1-7(2)10(12)8-5-6-9(13-8)11(3)4/h5-7H,1-4H3
InChIKeyLPMBMHAPQZGMEM-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-(dimethylamino)thiophen-2-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)thiophen-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[5-(dimethylamino)thiophen-2-yl]-2-methylpropan-1-one (CID 83880201) is 1-[5-(dimethylamino)thiophen-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[5-(dimethylamino)thiophen-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[5-(dimethylamino)thiophen-2-yl]-2-methylpropan-1-one is CC(C)C(=O)c1ccc(N(C)C)s1.
What is the InChIKey of 1-[5-(dimethylamino)thiophen-2-yl]-2-methylpropan-1-one?
The InChIKey is LPMBMHAPQZGMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7(2)10(12)8-5-6-9(13-8)11(3)4/h5-7H,1-4H3.
What are the key properties of 1-[5-(dimethylamino)thiophen-2-yl]-2-methylpropan-1-one?
1-[5-(dimethylamino)thiophen-2-yl]-2-methylpropan-1-one has a molecular weight of 197.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)thiophen-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 83880201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).