6-(3-bromophenyl)sulfinylhexan-3-amine

C12H18BrNOS — CID 106807869

IUPAC6-(3-bromophenyl)sulfinylhexan-3-amine
SMILESCCC(N)CCCS(=O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNOS/c1-2-11(14)6-4-8-16(15)12-7-3-5-10(13)9-12/h3,5,7,9,11H,2,4,6,8,14H2,1H3
InChIKeyWNDLYWHKKUITPQ-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.07
Rot. Bonds6

About 6-(3-bromophenyl)sulfinylhexan-3-amine

6-(3-bromophenyl)sulfinylhexan-3-amine (PubChem CID 106807869) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is 6-(3-bromophenyl)sulfinylhexan-3-amine.

Molecular Properties

Compound Name6-(3-bromophenyl)sulfinylhexan-3-amine
PubChem CID106807869
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC Name6-(3-bromophenyl)sulfinylhexan-3-amine
SMILESCCC(N)CCCS(=O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNOS/c1-2-11(14)6-4-8-16(15)12-7-3-5-10(13)9-12/h3,5,7,9,11H,2,4,6,8,14H2,1H3
InChIKeyWNDLYWHKKUITPQ-UHFFFAOYSA-N
XLogP3.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(3-bromophenyl)sulfinylhexan-3-amine 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 6-(3-bromophenyl)sulfinylhexan-3-amine?
The IUPAC name of 6-(3-bromophenyl)sulfinylhexan-3-amine (CID 106807869) is 6-(3-bromophenyl)sulfinylhexan-3-amine.
What is the SMILES notation for 6-(3-bromophenyl)sulfinylhexan-3-amine?
The canonical SMILES for 6-(3-bromophenyl)sulfinylhexan-3-amine is CCC(N)CCCS(=O)c1cccc(Br)c1.
What is the InChIKey of 6-(3-bromophenyl)sulfinylhexan-3-amine?
The InChIKey is WNDLYWHKKUITPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-2-11(14)6-4-8-16(15)12-7-3-5-10(13)9-12/h3,5,7,9,11H,2,4,6,8,14H2,1H3.
What are the key properties of 6-(3-bromophenyl)sulfinylhexan-3-amine?
6-(3-bromophenyl)sulfinylhexan-3-amine has a molecular weight of 304.25 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)sulfinylhexan-3-amine is sourced from PubChem (CID 106807869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).