[2-(2-methylphenyl)sulfinylcycloheptyl]methanamine

C15H23NOS — CID 81328475

IUPAC[2-(2-methylphenyl)sulfinylcycloheptyl]methanamine
SMILESCc1ccccc1S(=O)C1CCCCCC1CN
InChIInChI=1S/C15H23NOS/c1-12-7-5-6-9-14(12)18(17)15-10-4-2-3-8-13(15)11-16/h5-7,9,13,15H,2-4,8,10-11,16H2,1H3
InChIKeyAJQBKXFKTRFFBO-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.01
Rot. Bonds3

About [2-(2-methylphenyl)sulfinylcycloheptyl]methanamine

[2-(2-methylphenyl)sulfinylcycloheptyl]methanamine (PubChem CID 81328475) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is [2-(2-methylphenyl)sulfinylcycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(2-methylphenyl)sulfinylcycloheptyl]methanamine
PubChem CID81328475
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name[2-(2-methylphenyl)sulfinylcycloheptyl]methanamine
SMILESCc1ccccc1S(=O)C1CCCCCC1CN
InChIInChI=1S/C15H23NOS/c1-12-7-5-6-9-14(12)18(17)15-10-4-2-3-8-13(15)11-16/h5-7,9,13,15H,2-4,8,10-11,16H2,1H3
InChIKeyAJQBKXFKTRFFBO-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)sulfinylcycloheptyl]methanamine?
The IUPAC name of [2-(2-methylphenyl)sulfinylcycloheptyl]methanamine (CID 81328475) is [2-(2-methylphenyl)sulfinylcycloheptyl]methanamine.
What is the SMILES notation for [2-(2-methylphenyl)sulfinylcycloheptyl]methanamine?
The canonical SMILES for [2-(2-methylphenyl)sulfinylcycloheptyl]methanamine is Cc1ccccc1S(=O)C1CCCCCC1CN.
What is the InChIKey of [2-(2-methylphenyl)sulfinylcycloheptyl]methanamine?
The InChIKey is AJQBKXFKTRFFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-12-7-5-6-9-14(12)18(17)15-10-4-2-3-8-13(15)11-16/h5-7,9,13,15H,2-4,8,10-11,16H2,1H3.
What are the key properties of [2-(2-methylphenyl)sulfinylcycloheptyl]methanamine?
[2-(2-methylphenyl)sulfinylcycloheptyl]methanamine has a molecular weight of 265.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)sulfinylcycloheptyl]methanamine is sourced from PubChem (CID 81328475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).