4-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide

C10H18BrNO2S — CID 102885914

IUPAC4-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1CC1(CBr)CC1
InChIInChI=1S/C10H18BrNO2S/c1-9-6-15(13,14)5-4-12(9)8-10(7-11)2-3-10/h9H,2-8H2,1H3
InChIKeyDVZWKMUHXDZNGF-UHFFFAOYSA-N
MW296.23 g/mol
LogP1.28
Rot. Bonds3

About 4-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide

4-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 102885914) has the molecular formula C10H18BrNO2S and a molecular weight of 296.23 g/mol. Its IUPAC name is 4-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID102885914
Molecular FormulaC10H18BrNO2S
Molecular Weight296.23 g/mol
Exact Mass295.02
IUPAC Name4-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1CC1(CBr)CC1
InChIInChI=1S/C10H18BrNO2S/c1-9-6-15(13,14)5-4-12(9)8-10(7-11)2-3-10/h9H,2-8H2,1H3
InChIKeyDVZWKMUHXDZNGF-UHFFFAOYSA-N
XLogP1.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide (CID 102885914) is 4-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CCN1CC1(CBr)CC1.
What is the InChIKey of 4-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is DVZWKMUHXDZNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2S/c1-9-6-15(13,14)5-4-12(9)8-10(7-11)2-3-10/h9H,2-8H2,1H3.
What are the key properties of 4-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide?
4-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 296.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 102885914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).