3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine

C10H13Br2NO2S2 — CID 80673187

IUPAC3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1sccc1Br)N1CCCC(CBr)C1
InChIInChI=1S/C10H13Br2NO2S2/c11-6-8-2-1-4-13(7-8)17(14,15)10-9(12)3-5-16-10/h3,5,8H,1-2,4,6-7H2
InChIKeyUIMDUJXXSHVTSM-UHFFFAOYSA-N
MW403.16 g/mol
LogP3.31
Rot. Bonds3

About 3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine

3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine (PubChem CID 80673187) has the molecular formula C10H13Br2NO2S2 and a molecular weight of 403.16 g/mol. Its IUPAC name is 3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
PubChem CID80673187
Molecular FormulaC10H13Br2NO2S2
Molecular Weight403.16 g/mol
Exact Mass400.88
IUPAC Name3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1sccc1Br)N1CCCC(CBr)C1
InChIInChI=1S/C10H13Br2NO2S2/c11-6-8-2-1-4-13(7-8)17(14,15)10-9(12)3-5-16-10/h3,5,8H,1-2,4,6-7H2
InChIKeyUIMDUJXXSHVTSM-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

N-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 55258588
(3S)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-amine
CID 115302272
(3R)-1-(3-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid
CID 81120170
1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 61072332
(3R)-1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-3-ol
CID 66291405
1-(3-bromothiophen-2-yl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300299
4-(2-bromoethoxy)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 82701018
1-(3-bromothiophen-2-yl)sulfonylpyrrolidine-3,4-diol
CID 106672713
1-(3-bromothiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
CID 103896811
1-(3-bromothiophen-2-yl)sulfonylazetidin-3-ol
CID 63104958
1-(3-bromothiophen-2-yl)sulfonylpiperidine-3,4-dicarboxylic acid
CID 115917687
1-(3-bromothiophen-2-yl)sulfonyl-4-piperidin-1-ylpiperidine
CID 61067418

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine?
The IUPAC name of 3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine (CID 80673187) is 3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine.
What is the SMILES notation for 3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine?
The canonical SMILES for 3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine is O=S(=O)(c1sccc1Br)N1CCCC(CBr)C1.
What is the InChIKey of 3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine?
The InChIKey is UIMDUJXXSHVTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO2S2/c11-6-8-2-1-4-13(7-8)17(14,15)10-9(12)3-5-16-10/h3,5,8H,1-2,4,6-7H2.
What are the key properties of 3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine?
3-(bromomethyl)-1-(3-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 3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine is sourced from PubChem (CID 80673187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).