1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one

C9H10BrNO3S2 — CID 61074164

IUPAC1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one
SMILESO=C1CCN(S(=O)(=O)c2sccc2Br)CC1
InChIInChI=1S/C9H10BrNO3S2/c10-8-3-6-15-9(8)16(13,14)11-4-1-7(12)2-5-11/h3,6H,1-2,4-5H2
InChIKeyOSWSHSIUJXSXGD-UHFFFAOYSA-N
MW324.22 g/mol
LogP1.86
Rot. Bonds2

About 1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one

1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one (PubChem CID 61074164) has the molecular formula C9H10BrNO3S2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one
PubChem CID61074164
Molecular FormulaC9H10BrNO3S2
Molecular Weight324.22 g/mol
Exact Mass322.93
IUPAC Name1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one
SMILESO=C1CCN(S(=O)(=O)c2sccc2Br)CC1
InChIInChI=1S/C9H10BrNO3S2/c10-8-3-6-15-9(8)16(13,14)11-4-1-7(12)2-5-11/h3,6H,1-2,4-5H2
InChIKeyOSWSHSIUJXSXGD-UHFFFAOYSA-N
XLogP1.86
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one 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-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 61072332
1-(3-bromothiophen-2-yl)sulfonylpiperazine;hydrochloride
CID 119961497
8-(3-bromothiophen-2-yl)sulfonyl-8-azaspiro[4.5]decane
CID 63162262
1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
CID 106672713
1-(3-bromothiophen-2-yl)sulfonyl-4-(2-chloroethyl)piperazine
CID 63397514
1-(3-bromothiophen-2-yl)sulfonyl-4-propylpiperazine
CID 61062865
2-(3-bromothiophen-2-yl)sulfonyl-1,3-dihydroisoindole
CID 62231716
1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol
CID 63104958
1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine
CID 61067418
(3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol
CID 66291405
(3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 115302272
7-(3-bromothiophen-2-yl)sulfonyl-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 167935821

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one?
The IUPAC name of 1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one (CID 61074164) is 1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one?
The canonical SMILES for 1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one is O=C1CCN(S(=O)(=O)c2sccc2Br)CC1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one?
The InChIKey is OSWSHSIUJXSXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3S2/c10-8-3-6-15-9(8)16(13,14)11-4-1-7(12)2-5-11/h3,6H,1-2,4-5H2.
What are the key properties of 1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one?
1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one has a molecular weight of 324.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)sulfonylpiperidin-4-one is sourced from PubChem (CID 61074164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).