1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde

C10H12BrNO3S2 — CID 63844505

IUPAC1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde
SMILESO=CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C10H12BrNO3S2/c11-9-1-2-10(16-9)17(14,15)12-5-3-8(7-13)4-6-12/h1-2,7-8H,3-6H2
InChIKeyCQAABCSNGXPTBZ-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.11
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde

1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde (PubChem CID 63844505) has the molecular formula C10H12BrNO3S2 and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde
PubChem CID63844505
Molecular FormulaC10H12BrNO3S2
Molecular Weight338.25 g/mol
Exact Mass336.94
IUPAC Name1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde
SMILESO=CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C10H12BrNO3S2/c11-9-1-2-10(16-9)17(14,15)12-5-3-8(7-13)4-6-12/h1-2,7-8H,3-6H2
InChIKeyCQAABCSNGXPTBZ-UHFFFAOYSA-N
XLogP2.11
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724
4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine
CID 80669253
1-(5-bromothiophen-2-yl)sulfonyl-3,4-dimethylpiperidine
CID 115872296
1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylethanamine
CID 63855243
1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
CID 6470800
(3S)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 94917781
1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
CID 90493930
1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120778998
1-(5-bromothiophen-2-yl)sulfonyl-3-cyclohexylsulfonylazetidine
CID 90594043
ethyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate
CID 1006699
N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 3640172
1-(5-bromothiophen-2-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 51143852

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde (CID 63844505) is 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde is O=CC1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde?
The InChIKey is CQAABCSNGXPTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3S2/c11-9-1-2-10(16-9)17(14,15)12-5-3-8(7-13)4-6-12/h1-2,7-8H,3-6H2.
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde?
1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde has a molecular weight of 338.25 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde is sourced from PubChem (CID 63844505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).