2-(2-bromoethylsulfonyl)ethanamine

C4H10BrNO2S — CID 19862866

IUPAC2-(2-bromoethylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CCBr
InChIInChI=1S/C4H10BrNO2S/c5-1-3-9(7,8)4-2-6/h1-4,6H2
InChIKeyQPMJDDGJEQYRPK-UHFFFAOYSA-N
MW216.10 g/mol
LogP-0.25
Rot. Bonds4

About 2-(2-bromoethylsulfonyl)ethanamine

2-(2-bromoethylsulfonyl)ethanamine (PubChem CID 19862866) has the molecular formula C4H10BrNO2S and a molecular weight of 216.10 g/mol. Its IUPAC name is 2-(2-bromoethylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromoethylsulfonyl)ethanamine
PubChem CID19862866
Molecular FormulaC4H10BrNO2S
Molecular Weight216.10 g/mol
Exact Mass214.96
IUPAC Name2-(2-bromoethylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CCBr
InChIInChI=1S/C4H10BrNO2S/c5-1-3-9(7,8)4-2-6/h1-4,6H2
InChIKeyQPMJDDGJEQYRPK-UHFFFAOYSA-N
XLogP-0.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.10
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(2-bromoethylsulfonyl)ethanamine?
The IUPAC name of 2-(2-bromoethylsulfonyl)ethanamine (CID 19862866) is 2-(2-bromoethylsulfonyl)ethanamine.
What is the SMILES notation for 2-(2-bromoethylsulfonyl)ethanamine?
The canonical SMILES for 2-(2-bromoethylsulfonyl)ethanamine is NCCS(=O)(=O)CCBr.
What is the InChIKey of 2-(2-bromoethylsulfonyl)ethanamine?
The InChIKey is QPMJDDGJEQYRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10BrNO2S/c5-1-3-9(7,8)4-2-6/h1-4,6H2.
What are the key properties of 2-(2-bromoethylsulfonyl)ethanamine?
2-(2-bromoethylsulfonyl)ethanamine has a molecular weight of 216.10 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethylsulfonyl)ethanamine is sourced from PubChem (CID 19862866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).