1-(2,5-dichlorothiophen-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone

C12H15Cl2NO3S2 — CID 107967700

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
SMILESCS(=O)(=O)N1CCCC(CC(=O)c2cc(Cl)sc2Cl)C1
InChIInChI=1S/C12H15Cl2NO3S2/c1-20(17,18)15-4-2-3-8(7-15)5-10(16)9-6-11(13)19-12(9)14/h6,8H,2-5,7H2,1H3
InChIKeyFRAKDBYOAIZIDD-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.30
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone

1-(2,5-dichlorothiophen-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone (PubChem CID 107967700) has the molecular formula C12H15Cl2NO3S2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
PubChem CID107967700
Molecular FormulaC12H15Cl2NO3S2
Molecular Weight356.30 g/mol
Exact Mass354.99
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
SMILESCS(=O)(=O)N1CCCC(CC(=O)c2cc(Cl)sc2Cl)C1
InChIInChI=1S/C12H15Cl2NO3S2/c1-20(17,18)15-4-2-3-8(7-15)5-10(16)9-6-11(13)19-12(9)14/h6,8H,2-5,7H2,1H3
InChIKeyFRAKDBYOAIZIDD-UHFFFAOYSA-N
XLogP3.30
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-methylsulfanylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 115784266
1-(5-ethylthiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 115784268
1-(2-methyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 105116188
1-(4-aminophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116548748
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
CID 116560110
1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one
CID 79611252
2-(5-chlorothiophen-2-yl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 106046270
1-[2-(aminomethyl)-1,3-thiazol-4-yl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116585133
4,4-dimethyl-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-one
CID 79611561
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 43228932
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 102727232

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone (CID 107967700) is 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone is CS(=O)(=O)N1CCCC(CC(=O)c2cc(Cl)sc2Cl)C1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone?
The InChIKey is FRAKDBYOAIZIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3S2/c1-20(17,18)15-4-2-3-8(7-15)5-10(16)9-6-11(13)19-12(9)14/h6,8H,2-5,7H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone has a molecular weight of 356.30 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone is sourced from PubChem (CID 107967700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).