2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine

C14H20BrNOS — CID 113449406

IUPAC2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine
SMILESNC(CS(=O)c1ccccc1Br)C1CCCCC1
InChIInChI=1S/C14H20BrNOS/c15-12-8-4-5-9-14(12)18(17)10-13(16)11-6-2-1-3-7-11/h4-5,8-9,11,13H,1-3,6-7,10,16H2
InChIKeyVYSAAQJXLIDWRG-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.46
Rot. Bonds4

About 2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine

2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine (PubChem CID 113449406) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine
PubChem CID113449406
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC Name2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine
SMILESNC(CS(=O)c1ccccc1Br)C1CCCCC1
InChIInChI=1S/C14H20BrNOS/c15-12-8-4-5-9-14(12)18(17)10-13(16)11-6-2-1-3-7-11/h4-5,8-9,11,13H,1-3,6-7,10,16H2
InChIKeyVYSAAQJXLIDWRG-UHFFFAOYSA-N
XLogP3.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine?
The IUPAC name of 2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine (CID 113449406) is 2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine?
The canonical SMILES for 2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine is NC(CS(=O)c1ccccc1Br)C1CCCCC1.
What is the InChIKey of 2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine?
The InChIKey is VYSAAQJXLIDWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c15-12-8-4-5-9-14(12)18(17)10-13(16)11-6-2-1-3-7-11/h4-5,8-9,11,13H,1-3,6-7,10,16H2.
What are the key properties of 2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine?
2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine has a molecular weight of 330.29 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine is sourced from PubChem (CID 113449406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).