3-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-1,5-dien-1-amine

C14H19NO2S — CID 163625081

IUPAC3-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-1,5-dien-1-amine
SMILESCC1C=CC(S(=O)(=O)C2=CCC(C)C=C2N)=CC1
InChIInChI=1S/C14H19NO2S/c1-10-3-6-12(7-4-10)18(16,17)14-8-5-11(2)9-13(14)15/h3,6-11H,4-5,15H2,1-2H3
InChIKeyHRIGSXQREREPND-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.65
Rot. Bonds2

About 3-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-1,5-dien-1-amine

3-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-1,5-dien-1-amine (PubChem CID 163625081) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name3-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-1,5-dien-1-amine
PubChem CID163625081
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name3-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-1,5-dien-1-amine
SMILESCC1C=CC(S(=O)(=O)C2=CCC(C)C=C2N)=CC1
InChIInChI=1S/C14H19NO2S/c1-10-3-6-12(7-4-10)18(16,17)14-8-5-11(2)9-13(14)15/h3,6-11H,4-5,15H2,1-2H3
InChIKeyHRIGSXQREREPND-UHFFFAOYSA-N
XLogP2.65
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 89166794
CID 89166794
CID 89301934
CID 89301934
CID 140980197
CID 140980197
CID 141441513
CID 141441513

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 3-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-1,5-dien-1-amine (CID 163625081) is 3-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 3-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 3-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-1,5-dien-1-amine is CC1C=CC(S(=O)(=O)C2=CCC(C)C=C2N)=CC1.
What is the InChIKey of 3-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-1,5-dien-1-amine?
The InChIKey is HRIGSXQREREPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10-3-6-12(7-4-10)18(16,17)14-8-5-11(2)9-13(14)15/h3,6-11H,4-5,15H2,1-2H3.
What are the key properties of 3-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-1,5-dien-1-amine?
3-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-1,5-dien-1-amine has a molecular weight of 265.38 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 163625081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).