2-(2-bromoethylsulfonyl)-N-[2-(2-bromoethylsulfonyl)ethyl]ethanamine

C8H17Br2NO4S2 — CID 19434773

IUPAC2-(2-bromoethylsulfonyl)-N-[2-(2-bromoethylsulfonyl)ethyl]ethanamine
SMILESO=S(=O)(CCBr)CCNCCS(=O)(=O)CCBr
InChIInChI=1S/C8H17Br2NO4S2/c9-1-5-16(12,13)7-3-11-4-8-17(14,15)6-2-10/h11H,1-8H2
InChIKeyGQRWMXPYWGYLLC-UHFFFAOYSA-N
MW415.17 g/mol
LogP0.20
Rot. Bonds10

About 2-(2-bromoethylsulfonyl)-N-[2-(2-bromoethylsulfonyl)ethyl]ethanamine

2-(2-bromoethylsulfonyl)-N-[2-(2-bromoethylsulfonyl)ethyl]ethanamine (PubChem CID 19434773) has the molecular formula C8H17Br2NO4S2 and a molecular weight of 415.17 g/mol. Its IUPAC name is 2-(2-bromoethylsulfonyl)-N-[2-(2-bromoethylsulfonyl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(2-bromoethylsulfonyl)-N-[2-(2-bromoethylsulfonyl)ethyl]ethanamine
PubChem CID19434773
Molecular FormulaC8H17Br2NO4S2
Molecular Weight415.17 g/mol
Exact Mass412.90
IUPAC Name2-(2-bromoethylsulfonyl)-N-[2-(2-bromoethylsulfonyl)ethyl]ethanamine
SMILESO=S(=O)(CCBr)CCNCCS(=O)(=O)CCBr
InChIInChI=1S/C8H17Br2NO4S2/c9-1-5-16(12,13)7-3-11-4-8-17(14,15)6-2-10/h11H,1-8H2
InChIKeyGQRWMXPYWGYLLC-UHFFFAOYSA-N
XLogP0.20
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.17
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethylsulfonyl)-N-[2-(2-bromoethylsulfonyl)ethyl]ethanamine?
The IUPAC name of 2-(2-bromoethylsulfonyl)-N-[2-(2-bromoethylsulfonyl)ethyl]ethanamine (CID 19434773) is 2-(2-bromoethylsulfonyl)-N-[2-(2-bromoethylsulfonyl)ethyl]ethanamine.
What is the SMILES notation for 2-(2-bromoethylsulfonyl)-N-[2-(2-bromoethylsulfonyl)ethyl]ethanamine?
The canonical SMILES for 2-(2-bromoethylsulfonyl)-N-[2-(2-bromoethylsulfonyl)ethyl]ethanamine is O=S(=O)(CCBr)CCNCCS(=O)(=O)CCBr.
What is the InChIKey of 2-(2-bromoethylsulfonyl)-N-[2-(2-bromoethylsulfonyl)ethyl]ethanamine?
The InChIKey is GQRWMXPYWGYLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17Br2NO4S2/c9-1-5-16(12,13)7-3-11-4-8-17(14,15)6-2-10/h11H,1-8H2.
What are the key properties of 2-(2-bromoethylsulfonyl)-N-[2-(2-bromoethylsulfonyl)ethyl]ethanamine?
2-(2-bromoethylsulfonyl)-N-[2-(2-bromoethylsulfonyl)ethyl]ethanamine has a molecular weight of 415.17 g/mol, XLogP of 0.20, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethylsulfonyl)-N-[2-(2-bromoethylsulfonyl)ethyl]ethanamine is sourced from PubChem (CID 19434773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).