2-(2-bromoethyl)-1,2,6-thiadiazinane 1,1-dioxide

C5H11BrN2O2S — CID 130663119

IUPAC2-(2-bromoethyl)-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)NCCCN1CCBr
InChIInChI=1S/C5H11BrN2O2S/c6-2-5-8-4-1-3-7-11(8,9)10/h7H,1-5H2
InChIKeyFZPHZDUXKIOWGR-UHFFFAOYSA-N
MW243.13 g/mol
LogP-0.08
Rot. Bonds2

About 2-(2-bromoethyl)-1,2,6-thiadiazinane 1,1-dioxide

2-(2-bromoethyl)-1,2,6-thiadiazinane 1,1-dioxide (PubChem CID 130663119) has the molecular formula C5H11BrN2O2S and a molecular weight of 243.13 g/mol. Its IUPAC name is 2-(2-bromoethyl)-1,2,6-thiadiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-(2-bromoethyl)-1,2,6-thiadiazinane 1,1-dioxide
PubChem CID130663119
Molecular FormulaC5H11BrN2O2S
Molecular Weight243.13 g/mol
Exact Mass241.97
IUPAC Name2-(2-bromoethyl)-1,2,6-thiadiazinane 1,1-dioxide
SMILESO=S1(=O)NCCCN1CCBr
InChIInChI=1S/C5H11BrN2O2S/c6-2-5-8-4-1-3-7-11(8,9)10/h7H,1-5H2
InChIKeyFZPHZDUXKIOWGR-UHFFFAOYSA-N
XLogP-0.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-bromoethyl)-1,2,6-thiadiazinane 1,1-dioxide?
The IUPAC name of 2-(2-bromoethyl)-1,2,6-thiadiazinane 1,1-dioxide (CID 130663119) is 2-(2-bromoethyl)-1,2,6-thiadiazinane 1,1-dioxide.
What is the SMILES notation for 2-(2-bromoethyl)-1,2,6-thiadiazinane 1,1-dioxide?
The canonical SMILES for 2-(2-bromoethyl)-1,2,6-thiadiazinane 1,1-dioxide is O=S1(=O)NCCCN1CCBr.
What is the InChIKey of 2-(2-bromoethyl)-1,2,6-thiadiazinane 1,1-dioxide?
The InChIKey is FZPHZDUXKIOWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BrN2O2S/c6-2-5-8-4-1-3-7-11(8,9)10/h7H,1-5H2.
What are the key properties of 2-(2-bromoethyl)-1,2,6-thiadiazinane 1,1-dioxide?
2-(2-bromoethyl)-1,2,6-thiadiazinane 1,1-dioxide has a molecular weight of 243.13 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-1,2,6-thiadiazinane 1,1-dioxide is sourced from PubChem (CID 130663119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).