4-(2-bromoethoxy)-1-(3-bromothiophen-2-yl)sulfonylpiperidine

C11H15Br2NO3S2 — CID 82701018

IUPAC4-(2-bromoethoxy)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1sccc1Br)N1CCC(OCCBr)CC1
InChIInChI=1S/C11H15Br2NO3S2/c12-4-7-17-9-1-5-14(6-2-9)19(15,16)11-10(13)3-8-18-11/h3,8-9H,1-2,4-7H2
InChIKeyAFZDXRNJJGNUGP-UHFFFAOYSA-N
MW433.19 g/mol
LogP3.08
Rot. Bonds5

About 4-(2-bromoethoxy)-1-(3-bromothiophen-2-yl)sulfonylpiperidine

4-(2-bromoethoxy)-1-(3-bromothiophen-2-yl)sulfonylpiperidine (PubChem CID 82701018) has the molecular formula C11H15Br2NO3S2 and a molecular weight of 433.19 g/mol. Its IUPAC name is 4-(2-bromoethoxy)-1-(3-bromothiophen-2-yl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(2-bromoethoxy)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
PubChem CID82701018
Molecular FormulaC11H15Br2NO3S2
Molecular Weight433.19 g/mol
Exact Mass430.89
IUPAC Name4-(2-bromoethoxy)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
SMILESO=S(=O)(c1sccc1Br)N1CCC(OCCBr)CC1
InChIInChI=1S/C11H15Br2NO3S2/c12-4-7-17-9-1-5-14(6-2-9)19(15,16)11-10(13)3-8-18-11/h3,8-9H,1-2,4-7H2
InChIKeyAFZDXRNJJGNUGP-UHFFFAOYSA-N
XLogP3.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.19
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethoxy)-1-(3-bromothiophen-2-yl)sulfonylpiperidine?
The IUPAC name of 4-(2-bromoethoxy)-1-(3-bromothiophen-2-yl)sulfonylpiperidine (CID 82701018) is 4-(2-bromoethoxy)-1-(3-bromothiophen-2-yl)sulfonylpiperidine.
What is the SMILES notation for 4-(2-bromoethoxy)-1-(3-bromothiophen-2-yl)sulfonylpiperidine?
The canonical SMILES for 4-(2-bromoethoxy)-1-(3-bromothiophen-2-yl)sulfonylpiperidine is O=S(=O)(c1sccc1Br)N1CCC(OCCBr)CC1.
What is the InChIKey of 4-(2-bromoethoxy)-1-(3-bromothiophen-2-yl)sulfonylpiperidine?
The InChIKey is AFZDXRNJJGNUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO3S2/c12-4-7-17-9-1-5-14(6-2-9)19(15,16)11-10(13)3-8-18-11/h3,8-9H,1-2,4-7H2.
What are the key properties of 4-(2-bromoethoxy)-1-(3-bromothiophen-2-yl)sulfonylpiperidine?
4-(2-bromoethoxy)-1-(3-bromothiophen-2-yl)sulfonylpiperidine has a molecular weight of 433.19 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethoxy)-1-(3-bromothiophen-2-yl)sulfonylpiperidine is sourced from PubChem (CID 82701018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).