1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone

C11H14ClNO3S2 — CID 63846418

IUPAC1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C11H14ClNO3S2/c1-8(14)9-4-6-13(7-5-9)18(15,16)11-3-2-10(12)17-11/h2-3,9H,4-7H2,1H3
InChIKeyMGAKLYQARYFTFV-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.39
Rot. Bonds3

About 1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone

1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone (PubChem CID 63846418) has the molecular formula C11H14ClNO3S2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
PubChem CID63846418
Molecular FormulaC11H14ClNO3S2
Molecular Weight307.82 g/mol
Exact Mass307.01
IUPAC Name1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C11H14ClNO3S2/c1-8(14)9-4-6-13(7-5-9)18(15,16)11-3-2-10(12)17-11/h2-3,9H,4-7H2,1H3
InChIKeyMGAKLYQARYFTFV-UHFFFAOYSA-N
XLogP2.39
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 18078359
1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 113002500
1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
CID 77039217
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 62215968
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
N-(4-bromophenyl)-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 16803661
[4-(5-chlorothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797097
1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584698
1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)piperidine-4-carboxamide
CID 16830604
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 31137350
1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123700

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone (CID 63846418) is 1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone is CC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone?
The InChIKey is MGAKLYQARYFTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S2/c1-8(14)9-4-6-13(7-5-9)18(15,16)11-3-2-10(12)17-11/h2-3,9H,4-7H2,1H3.
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone?
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone has a molecular weight of 307.82 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone is sourced from PubChem (CID 63846418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).