3-(3-bromophenyl)sulfinyl-N-methylcyclohexan-1-amine

C13H18BrNOS — CID 64716545

IUPAC3-(3-bromophenyl)sulfinyl-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(S(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C13H18BrNOS/c1-15-11-5-3-7-13(9-11)17(16)12-6-2-4-10(14)8-12/h2,4,6,8,11,13,15H,3,5,7,9H2,1H3
InChIKeySLQFEASADGFHIK-UHFFFAOYSA-N
MW316.26 g/mol
LogP3.09
Rot. Bonds3

About 3-(3-bromophenyl)sulfinyl-N-methylcyclohexan-1-amine

3-(3-bromophenyl)sulfinyl-N-methylcyclohexan-1-amine (PubChem CID 64716545) has the molecular formula C13H18BrNOS and a molecular weight of 316.26 g/mol. Its IUPAC name is 3-(3-bromophenyl)sulfinyl-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)sulfinyl-N-methylcyclohexan-1-amine
PubChem CID64716545
Molecular FormulaC13H18BrNOS
Molecular Weight316.26 g/mol
Exact Mass315.03
IUPAC Name3-(3-bromophenyl)sulfinyl-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(S(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C13H18BrNOS/c1-15-11-5-3-7-13(9-11)17(16)12-6-2-4-10(14)8-12/h2,4,6,8,11,13,15H,3,5,7,9H2,1H3
InChIKeySLQFEASADGFHIK-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromophenyl)sulfinyl-N-methylcyclopentan-1-amine
CID 64723864
3-(3-bromophenyl)sulfinylcyclobutan-1-one;ethane
CID 167494047
2-(3-bromophenyl)sulfinylcyclopentan-1-amine
CID 64659560
N-methyl-3-(4-nitrophenyl)sulfinylcyclohexan-1-amine
CID 64717373
2-(3-bromophenyl)sulfinyl-4-tert-butyl-N-methylcyclohexan-1-amine
CID 64657799
2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658968
[2-(3-bromophenyl)sulfinylcyclohexyl]methanamine
CID 81334124
2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
CID 64658970
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylcyclohexan-1-amine
CID 64717359
(3-bromophenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 94475878
3-(3-bromophenyl)sulfinyloxan-4-amine
CID 64659555
N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754297

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)sulfinyl-N-methylcyclohexan-1-amine?
The IUPAC name of 3-(3-bromophenyl)sulfinyl-N-methylcyclohexan-1-amine (CID 64716545) is 3-(3-bromophenyl)sulfinyl-N-methylcyclohexan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)sulfinyl-N-methylcyclohexan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)sulfinyl-N-methylcyclohexan-1-amine is CNC1CCCC(S(=O)c2cccc(Br)c2)C1.
What is the InChIKey of 3-(3-bromophenyl)sulfinyl-N-methylcyclohexan-1-amine?
The InChIKey is SLQFEASADGFHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNOS/c1-15-11-5-3-7-13(9-11)17(16)12-6-2-4-10(14)8-12/h2,4,6,8,11,13,15H,3,5,7,9H2,1H3.
What are the key properties of 3-(3-bromophenyl)sulfinyl-N-methylcyclohexan-1-amine?
3-(3-bromophenyl)sulfinyl-N-methylcyclohexan-1-amine has a molecular weight of 316.26 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)sulfinyl-N-methylcyclohexan-1-amine is sourced from PubChem (CID 64716545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).