[2-(2,5-dimethylphenyl)sulfinylcyclohexyl]methanamine

C15H23NOS — CID 81328814

IUPAC[2-(2,5-dimethylphenyl)sulfinylcyclohexyl]methanamine
SMILESCc1ccc(C)c(S(=O)C2CCCCC2CN)c1
InChIInChI=1S/C15H23NOS/c1-11-7-8-12(2)15(9-11)18(17)14-6-4-3-5-13(14)10-16/h7-9,13-14H,3-6,10,16H2,1-2H3
InChIKeyOABYYLZEDCWLBL-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.93
Rot. Bonds3

About [2-(2,5-dimethylphenyl)sulfinylcyclohexyl]methanamine

[2-(2,5-dimethylphenyl)sulfinylcyclohexyl]methanamine (PubChem CID 81328814) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)sulfinylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,5-dimethylphenyl)sulfinylcyclohexyl]methanamine
PubChem CID81328814
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name[2-(2,5-dimethylphenyl)sulfinylcyclohexyl]methanamine
SMILESCc1ccc(C)c(S(=O)C2CCCCC2CN)c1
InChIInChI=1S/C15H23NOS/c1-11-7-8-12(2)15(9-11)18(17)14-6-4-3-5-13(14)10-16/h7-9,13-14H,3-6,10,16H2,1-2H3
InChIKeyOABYYLZEDCWLBL-UHFFFAOYSA-N
XLogP2.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-methylphenyl)sulfinylcycloheptyl]methanamine
CID 81328475
2-(2,5-dimethylphenyl)sulfinyl-N-methylcycloheptan-1-amine
CID 64660066
2-(2,5-dimethylphenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64658501
[2-(4-tert-butylphenyl)sulfinylcyclohexyl]methanamine
CID 81328026
5-(2,5-dimethylphenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine
CID 79863463
(2-thiophen-2-ylsulfinylcycloheptyl)methanamine
CID 81328024
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119986461
[2-(3-bromophenyl)sulfinylcyclohexyl]methanamine
CID 81334124
[2-(4-methylsulfonylphenyl)sulfinylcycloheptyl]methanamine
CID 81333740
[2-(3,4-dichlorophenyl)sulfinylcyclopentyl]methanamine
CID 81333789
[2-(2,4-dimethylphenyl)cycloheptyl]methanamine
CID 81011171
2-(2,4-dimethylphenyl)sulfinyl-4-methylcyclohexan-1-amine
CID 64658119

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenyl)sulfinylcyclohexyl]methanamine?
The IUPAC name of [2-(2,5-dimethylphenyl)sulfinylcyclohexyl]methanamine (CID 81328814) is [2-(2,5-dimethylphenyl)sulfinylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2,5-dimethylphenyl)sulfinylcyclohexyl]methanamine?
The canonical SMILES for [2-(2,5-dimethylphenyl)sulfinylcyclohexyl]methanamine is Cc1ccc(C)c(S(=O)C2CCCCC2CN)c1.
What is the InChIKey of [2-(2,5-dimethylphenyl)sulfinylcyclohexyl]methanamine?
The InChIKey is OABYYLZEDCWLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11-7-8-12(2)15(9-11)18(17)14-6-4-3-5-13(14)10-16/h7-9,13-14H,3-6,10,16H2,1-2H3.
What are the key properties of [2-(2,5-dimethylphenyl)sulfinylcyclohexyl]methanamine?
[2-(2,5-dimethylphenyl)sulfinylcyclohexyl]methanamine has a molecular weight of 265.42 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenyl)sulfinylcyclohexyl]methanamine is sourced from PubChem (CID 81328814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).