2-(3-bromo-2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide

C8H16BrNO2S — CID 64995065

IUPAC2-(3-bromo-2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(CBr)CN1CCCS1(=O)=O
InChIInChI=1S/C8H16BrNO2S/c1-8(2,6-9)7-10-4-3-5-13(10,11)12/h3-7H2,1-2H3
InChIKeyWMWZXDPFULHZEK-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.44
Rot. Bonds3

About 2-(3-bromo-2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide

2-(3-bromo-2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 64995065) has the molecular formula C8H16BrNO2S and a molecular weight of 270.19 g/mol. Its IUPAC name is 2-(3-bromo-2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(3-bromo-2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide
PubChem CID64995065
Molecular FormulaC8H16BrNO2S
Molecular Weight270.19 g/mol
Exact Mass269.01
IUPAC Name2-(3-bromo-2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide
SMILESCC(C)(CBr)CN1CCCS1(=O)=O
InChIInChI=1S/C8H16BrNO2S/c1-8(2,6-9)7-10-4-3-5-13(10,11)12/h3-7H2,1-2H3
InChIKeyWMWZXDPFULHZEK-UHFFFAOYSA-N
XLogP1.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.44
H-Bond Donors ≤ 50
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-(3-bromo-2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(3-bromo-2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide (CID 64995065) is 2-(3-bromo-2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(3-bromo-2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(3-bromo-2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide is CC(C)(CBr)CN1CCCS1(=O)=O.
What is the InChIKey of 2-(3-bromo-2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is WMWZXDPFULHZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2S/c1-8(2,6-9)7-10-4-3-5-13(10,11)12/h3-7H2,1-2H3.
What are the key properties of 2-(3-bromo-2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide?
2-(3-bromo-2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 270.19 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,2-dimethylpropyl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 64995065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).