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

C10H13Br2NO2S2 — CID 80669253

IUPAC4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCC(CBr)CC1
InChIInChI=1S/C10H13Br2NO2S2/c11-7-8-3-5-13(6-4-8)17(14,15)10-2-1-9(12)16-10/h1-2,8H,3-7H2
InChIKeyKUDQXFZJZLNLBA-UHFFFAOYSA-N
MW403.16 g/mol
LogP3.31
Rot. Bonds3

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

4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine (PubChem CID 80669253) has the molecular formula C10H13Br2NO2S2 and a molecular weight of 403.16 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine
PubChem CID80669253
Molecular FormulaC10H13Br2NO2S2
Molecular Weight403.16 g/mol
Exact Mass400.88
IUPAC Name4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(Br)s1)N1CCC(CBr)CC1
InChIInChI=1S/C10H13Br2NO2S2/c11-7-8-3-5-13(6-4-8)17(14,15)10-2-1-9(12)16-10/h1-2,8H,3-7H2
InChIKeyKUDQXFZJZLNLBA-UHFFFAOYSA-N
XLogP3.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.16
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde
CID 63844505
1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724
1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
CID 6470800
1-(5-bromothiophen-2-yl)sulfonyl-4-(imidazol-1-ylmethyl)piperidine
CID 90493930
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-N-propylpiperidine-4-carboxamide
CID 51143852
ethyl 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate
CID 1006699
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-ethoxyethyl)piperidine-4-carboxamide
CID 78903052
(3S)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 94917781
N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 3640172
1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120778998

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine?
The IUPAC name of 4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine (CID 80669253) is 4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine.
What is the SMILES notation for 4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine?
The canonical SMILES for 4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine is O=S(=O)(c1ccc(Br)s1)N1CCC(CBr)CC1.
What is the InChIKey of 4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine?
The InChIKey is KUDQXFZJZLNLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO2S2/c11-7-8-3-5-13(6-4-8)17(14,15)10-2-1-9(12)16-10/h1-2,8H,3-7H2.
What are the key properties of 4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine?
4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine has a molecular weight of 403.16 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine is sourced from PubChem (CID 80669253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).