(3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine

C14H19Br2NO2S — CID 107976498

IUPAC(3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine
SMILESCS(=O)(=O)C1CCCC(C(N)c2cc(Br)cc(Br)c2)C1
InChIInChI=1S/C14H19Br2NO2S/c1-20(18,19)13-4-2-3-9(7-13)14(17)10-5-11(15)8-12(16)6-10/h5-6,8-9,13-14H,2-4,7,17H2,1H3
InChIKeyNZRIDKMDZHWGSJ-UHFFFAOYSA-N
MW425.19 g/mol
LogP3.81
Rot. Bonds3

About (3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine

(3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine (PubChem CID 107976498) has the molecular formula C14H19Br2NO2S and a molecular weight of 425.19 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine
PubChem CID107976498
Molecular FormulaC14H19Br2NO2S
Molecular Weight425.19 g/mol
Exact Mass422.95
IUPAC Name(3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine
SMILESCS(=O)(=O)C1CCCC(C(N)c2cc(Br)cc(Br)c2)C1
InChIInChI=1S/C14H19Br2NO2S/c1-20(18,19)13-4-2-3-9(7-13)14(17)10-5-11(15)8-12(16)6-10/h5-6,8-9,13-14H,2-4,7,17H2,1H3
InChIKeyNZRIDKMDZHWGSJ-UHFFFAOYSA-N
XLogP3.81
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.19
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride
CID 171213936
(5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014349
[(3-bromo-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324194
(4-bromo-2-methoxyphenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014385
(4-bromo-3,5-dimethylphenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 114329804
(2-bromo-3-methylphenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107985228
(4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014321
(2-bromo-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014355
(3-bromo-5-methylphenyl)-cyclobutylmethanamine
CID 112631023
(2-amino-5-bromophenyl)-(3-methylsulfonylcyclohexyl)methanol
CID 82703710
(6-methoxypyrimidin-4-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 102950649
(3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine
CID 105014295

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine?
The IUPAC name of (3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine (CID 107976498) is (3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for (3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine?
The canonical SMILES for (3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine is CS(=O)(=O)C1CCCC(C(N)c2cc(Br)cc(Br)c2)C1.
What is the InChIKey of (3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine?
The InChIKey is NZRIDKMDZHWGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO2S/c1-20(18,19)13-4-2-3-9(7-13)14(17)10-5-11(15)8-12(16)6-10/h5-6,8-9,13-14H,2-4,7,17H2,1H3.
What are the key properties of (3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine?
(3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine has a molecular weight of 425.19 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 107976498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).