2-(3-bromophenyl)sulfinyl-1-cyclohexylethanamine

C14H20BrNOS — CID 113449368

IUPAC2-(3-bromophenyl)sulfinyl-1-cyclohexylethanamine
SMILESNC(CS(=O)c1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C14H20BrNOS/c15-12-7-4-8-13(9-12)18(17)10-14(16)11-5-2-1-3-6-11/h4,7-9,11,14H,1-3,5-6,10,16H2
InChIKeyFYYZZUXQWLXUGJ-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.46
Rot. Bonds4

About 2-(3-bromophenyl)sulfinyl-1-cyclohexylethanamine

2-(3-bromophenyl)sulfinyl-1-cyclohexylethanamine (PubChem CID 113449368) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfinyl-1-cyclohexylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfinyl-1-cyclohexylethanamine
PubChem CID113449368
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC Name2-(3-bromophenyl)sulfinyl-1-cyclohexylethanamine
SMILESNC(CS(=O)c1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C14H20BrNOS/c15-12-7-4-8-13(9-12)18(17)10-14(16)11-5-2-1-3-6-11/h4,7-9,11,14H,1-3,5-6,10,16H2
InChIKeyFYYZZUXQWLXUGJ-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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Related Compounds

N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754297
2-(2-bromophenyl)sulfinyl-1-cyclohexylethanamine
CID 113449406
1-cyclopentyl-2-(4-methylphenyl)sulfinylethanamine
CID 104754397
N-[2-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine
CID 64659173
2-(4-tert-butylphenyl)sulfinyl-1-cyclopentylethanamine
CID 104754574
1-cyclopropyl-2-(3,4-dimethylphenyl)sulfinylethanamine
CID 64659864
4-(3-bromophenyl)sulfinylbutan-2-amine
CID 64660137
1-cyclohexyl-2-(2,5-difluorophenyl)sulfinylethanamine
CID 104754679
(S)-(3-bromophenyl)-cyclohexylmethanamine
CID 93312550
2-(3-bromophenyl)sulfinylethanamine
CID 62803372
1-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)ethanamine
CID 115479181
[2-(3-bromophenyl)sulfinylcyclohexyl]methanamine
CID 81334124

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfinyl-1-cyclohexylethanamine?
The IUPAC name of 2-(3-bromophenyl)sulfinyl-1-cyclohexylethanamine (CID 113449368) is 2-(3-bromophenyl)sulfinyl-1-cyclohexylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)sulfinyl-1-cyclohexylethanamine?
The canonical SMILES for 2-(3-bromophenyl)sulfinyl-1-cyclohexylethanamine is NC(CS(=O)c1cccc(Br)c1)C1CCCCC1.
What is the InChIKey of 2-(3-bromophenyl)sulfinyl-1-cyclohexylethanamine?
The InChIKey is FYYZZUXQWLXUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c15-12-7-4-8-13(9-12)18(17)10-14(16)11-5-2-1-3-6-11/h4,7-9,11,14H,1-3,5-6,10,16H2.
What are the key properties of 2-(3-bromophenyl)sulfinyl-1-cyclohexylethanamine?
2-(3-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-(3-bromophenyl)sulfinyl-1-cyclohexylethanamine is sourced from PubChem (CID 113449368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).