1-(2,5-dichlorothiophen-3-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone

C13H17Cl2NOS — CID 104967877

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1CC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H17Cl2NOS/c1-8-4-3-5-9(2)16(8)7-11(17)10-6-12(14)18-13(10)15/h6,8-9H,3-5,7H2,1-2H3/t8-,9+
InChIKeyDWGJUDIXUZFFGA-DTORHVGOSA-N
MW306.26 g/mol
LogP4.50
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone

1-(2,5-dichlorothiophen-3-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone (PubChem CID 104967877) has the molecular formula C13H17Cl2NOS and a molecular weight of 306.26 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
PubChem CID104967877
Molecular FormulaC13H17Cl2NOS
Molecular Weight306.26 g/mol
Exact Mass305.04
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1CC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H17Cl2NOS/c1-8-4-3-5-9(2)16(8)7-11(17)10-6-12(14)18-13(10)15/h6,8-9H,3-5,7H2,1-2H3/t8-,9+
InChIKeyDWGJUDIXUZFFGA-DTORHVGOSA-N
XLogP4.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dichlorothiophen-3-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

1-(2,5-dichlorophenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43794680
2-cyclobutyloxy-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 62139898
2-(azepan-1-yl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 43227260
1-(2,5-dichlorothiophen-3-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 55216582
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylmorpholin-4-yl)ethanone
CID 43796472
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
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 43228932
(5R)-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 51726005
1-(2,5-dichlorothiophen-3-yl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 43797009
1-(3,4-dimethylphenyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 93026208
2-cyclopentylsulfinyl-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 64639379
1-(2,5-dichlorothiophen-3-yl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanone
CID 63634616

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone (CID 104967877) is 1-(2,5-dichlorothiophen-3-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone is C[C@@H]1CCC[C@H](C)N1CC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
The InChIKey is DWGJUDIXUZFFGA-DTORHVGOSA-N. The full InChI is InChI=1S/C13H17Cl2NOS/c1-8-4-3-5-9(2)16(8)7-11(17)10-6-12(14)18-13(10)15/h6,8-9H,3-5,7H2,1-2H3/t8-,9+.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone has a molecular weight of 306.26 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 104967877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).