2-(3-bromopropylsulfinyl)ethanimine

C5H10BrNOS — CID 91006533

IUPAC2-(3-bromopropylsulfinyl)ethanimine
SMILES[H]/N=C/CS(=O)CCCBr
InChIInChI=1S/C5H10BrNOS/c6-2-1-4-9(8)5-3-7/h3,7H,1-2,4-5H2/b7-3+
InChIKeyMBJXHZWKRAGJKQ-XVNBXDOJSA-N
MW212.11 g/mol
LogP1.17
Rot. Bonds5

About 2-(3-bromopropylsulfinyl)ethanimine

2-(3-bromopropylsulfinyl)ethanimine (PubChem CID 91006533) has the molecular formula C5H10BrNOS and a molecular weight of 212.11 g/mol. Its IUPAC name is 2-(3-bromopropylsulfinyl)ethanimine.

Molecular Properties

Compound Name2-(3-bromopropylsulfinyl)ethanimine
PubChem CID91006533
Molecular FormulaC5H10BrNOS
Molecular Weight212.11 g/mol
Exact Mass210.97
IUPAC Name2-(3-bromopropylsulfinyl)ethanimine
SMILES[H]/N=C/CS(=O)CCCBr
InChIInChI=1S/C5H10BrNOS/c6-2-1-4-9(8)5-3-7/h3,7H,1-2,4-5H2/b7-3+
InChIKeyMBJXHZWKRAGJKQ-XVNBXDOJSA-N
XLogP1.17
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.11
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-(3-bromopropylsulfinyl)ethanimine 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 2-(3-bromopropylsulfinyl)ethanimine?
The IUPAC name of 2-(3-bromopropylsulfinyl)ethanimine (CID 91006533) is 2-(3-bromopropylsulfinyl)ethanimine.
What is the SMILES notation for 2-(3-bromopropylsulfinyl)ethanimine?
The canonical SMILES for 2-(3-bromopropylsulfinyl)ethanimine is [H]/N=C/CS(=O)CCCBr.
What is the InChIKey of 2-(3-bromopropylsulfinyl)ethanimine?
The InChIKey is MBJXHZWKRAGJKQ-XVNBXDOJSA-N. The full InChI is InChI=1S/C5H10BrNOS/c6-2-1-4-9(8)5-3-7/h3,7H,1-2,4-5H2/b7-3+.
What are the key properties of 2-(3-bromopropylsulfinyl)ethanimine?
2-(3-bromopropylsulfinyl)ethanimine has a molecular weight of 212.11 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropylsulfinyl)ethanimine is sourced from PubChem (CID 91006533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).