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

C11H15Br2NO2S2 — CID 80670503

IUPAC2-(2-bromoethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1sccc1Br)N1CCCCC1CCBr
InChIInChI=1S/C11H15Br2NO2S2/c12-6-4-9-3-1-2-7-14(9)18(15,16)11-10(13)5-8-17-11/h5,8-9H,1-4,6-7H2
InChIKeyKSMRIWLRMFKRBT-UHFFFAOYSA-N
MW417.19 g/mol
LogP3.84
Rot. Bonds4

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

2-(2-bromoethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine (PubChem CID 80670503) has the molecular formula C11H15Br2NO2S2 and a molecular weight of 417.19 g/mol. Its IUPAC name is 2-(2-bromoethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name2-(2-bromoethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
PubChem CID80670503
Molecular FormulaC11H15Br2NO2S2
Molecular Weight417.19 g/mol
Exact Mass414.89
IUPAC Name2-(2-bromoethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1sccc1Br)N1CCCCC1CCBr
InChIInChI=1S/C11H15Br2NO2S2/c12-6-4-9-3-1-2-7-14(9)18(15,16)11-10(13)5-8-17-11/h5,8-9H,1-4,6-7H2
InChIKeyKSMRIWLRMFKRBT-UHFFFAOYSA-N
XLogP3.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.19
LogP ≤ 53.84
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-[1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285310
N-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 63878266
2-(2-bromoethyl)-1-(2-bromophenyl)sulfonylpiperidine
CID 80670333
1-(3-bromo-4-chlorophenyl)sulfonyl-2-(2-bromoethyl)piperidine
CID 106613057
(2R,3R)-1-(3-bromothiophen-2-yl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105257
(2S)-1-(3-bromothiophen-2-yl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine
CID 124743984
2-(2-bromoethyl)-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine
CID 80671382
1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 61072332
2-(2-bromoethyl)-1-(2,5-difluorophenyl)sulfonylpiperidine
CID 80671795
3-(bromomethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 80673187
3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 83053033
2-(2-bromoethyl)-1-(methylsulfonylmethylsulfonyl)piperidine
CID 82843290

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine?
The IUPAC name of 2-(2-bromoethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine (CID 80670503) is 2-(2-bromoethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine.
What is the SMILES notation for 2-(2-bromoethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine?
The canonical SMILES for 2-(2-bromoethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine is O=S(=O)(c1sccc1Br)N1CCCCC1CCBr.
What is the InChIKey of 2-(2-bromoethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine?
The InChIKey is KSMRIWLRMFKRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO2S2/c12-6-4-9-3-1-2-7-14(9)18(15,16)11-10(13)5-8-17-11/h5,8-9H,1-4,6-7H2.
What are the key properties of 2-(2-bromoethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine?
2-(2-bromoethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine has a molecular weight of 417.19 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine is sourced from PubChem (CID 80670503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).