2-(3-ethylcyclohexyl)sulfonyl-6-methylaniline

C15H23NO2S — CID 81188953

IUPAC2-(3-ethylcyclohexyl)sulfonyl-6-methylaniline
SMILESCCC1CCCC(S(=O)(=O)c2cccc(C)c2N)C1
InChIInChI=1S/C15H23NO2S/c1-3-12-7-5-8-13(10-12)19(17,18)14-9-4-6-11(2)15(14)16/h4,6,9,12-13H,3,5,7-8,10,16H2,1-2H3
InChIKeyPGXXBQYYYXWGOQ-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.32
Rot. Bonds3

About 2-(3-ethylcyclohexyl)sulfonyl-6-methylaniline

2-(3-ethylcyclohexyl)sulfonyl-6-methylaniline (PubChem CID 81188953) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(3-ethylcyclohexyl)sulfonyl-6-methylaniline.

Molecular Properties

Compound Name2-(3-ethylcyclohexyl)sulfonyl-6-methylaniline
PubChem CID81188953
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-(3-ethylcyclohexyl)sulfonyl-6-methylaniline
SMILESCCC1CCCC(S(=O)(=O)c2cccc(C)c2N)C1
InChIInChI=1S/C15H23NO2S/c1-3-12-7-5-8-13(10-12)19(17,18)14-9-4-6-11(2)15(14)16/h4,6,9,12-13H,3,5,7-8,10,16H2,1-2H3
InChIKeyPGXXBQYYYXWGOQ-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexyl)sulfonyl-6-methylaniline?
The IUPAC name of 2-(3-ethylcyclohexyl)sulfonyl-6-methylaniline (CID 81188953) is 2-(3-ethylcyclohexyl)sulfonyl-6-methylaniline.
What is the SMILES notation for 2-(3-ethylcyclohexyl)sulfonyl-6-methylaniline?
The canonical SMILES for 2-(3-ethylcyclohexyl)sulfonyl-6-methylaniline is CCC1CCCC(S(=O)(=O)c2cccc(C)c2N)C1.
What is the InChIKey of 2-(3-ethylcyclohexyl)sulfonyl-6-methylaniline?
The InChIKey is PGXXBQYYYXWGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-3-12-7-5-8-13(10-12)19(17,18)14-9-4-6-11(2)15(14)16/h4,6,9,12-13H,3,5,7-8,10,16H2,1-2H3.
What are the key properties of 2-(3-ethylcyclohexyl)sulfonyl-6-methylaniline?
2-(3-ethylcyclohexyl)sulfonyl-6-methylaniline has a molecular weight of 281.42 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexyl)sulfonyl-6-methylaniline is sourced from PubChem (CID 81188953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).