[2-(3-methylphenyl)sulfonylcycloheptyl]methanamine

C15H23NO2S — CID 64698481

IUPAC[2-(3-methylphenyl)sulfonylcycloheptyl]methanamine
SMILESCc1cccc(S(=O)(=O)C2CCCCCC2CN)c1
InChIInChI=1S/C15H23NO2S/c1-12-6-5-8-14(10-12)19(17,18)15-9-4-2-3-7-13(15)11-16/h5-6,8,10,13,15H,2-4,7,9,11,16H2,1H3
InChIKeyJVKUFYDWIYNSTB-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.68
Rot. Bonds3

About [2-(3-methylphenyl)sulfonylcycloheptyl]methanamine

[2-(3-methylphenyl)sulfonylcycloheptyl]methanamine (PubChem CID 64698481) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is [2-(3-methylphenyl)sulfonylcycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(3-methylphenyl)sulfonylcycloheptyl]methanamine
PubChem CID64698481
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name[2-(3-methylphenyl)sulfonylcycloheptyl]methanamine
SMILESCc1cccc(S(=O)(=O)C2CCCCCC2CN)c1
InChIInChI=1S/C15H23NO2S/c1-12-6-5-8-14(10-12)19(17,18)15-9-4-2-3-7-13(15)11-16/h5-6,8,10,13,15H,2-4,7,9,11,16H2,1H3
InChIKeyJVKUFYDWIYNSTB-UHFFFAOYSA-N
XLogP2.68
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)sulfonylcycloheptyl]methanamine?
The IUPAC name of [2-(3-methylphenyl)sulfonylcycloheptyl]methanamine (CID 64698481) is [2-(3-methylphenyl)sulfonylcycloheptyl]methanamine.
What is the SMILES notation for [2-(3-methylphenyl)sulfonylcycloheptyl]methanamine?
The canonical SMILES for [2-(3-methylphenyl)sulfonylcycloheptyl]methanamine is Cc1cccc(S(=O)(=O)C2CCCCCC2CN)c1.
What is the InChIKey of [2-(3-methylphenyl)sulfonylcycloheptyl]methanamine?
The InChIKey is JVKUFYDWIYNSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12-6-5-8-14(10-12)19(17,18)15-9-4-2-3-7-13(15)11-16/h5-6,8,10,13,15H,2-4,7,9,11,16H2,1H3.
What are the key properties of [2-(3-methylphenyl)sulfonylcycloheptyl]methanamine?
[2-(3-methylphenyl)sulfonylcycloheptyl]methanamine has a molecular weight of 281.42 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenyl)sulfonylcycloheptyl]methanamine is sourced from PubChem (CID 64698481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).