6-(methylsulfonimidoyl)cyclohexa-2,4-dien-1-amine

C7H12N2OS — CID 59847843

IUPAC6-(methylsulfonimidoyl)cyclohexa-2,4-dien-1-amine
SMILES[H]N=S(C)(=O)C1C=CC=CC1N
InChIInChI=1S/C7H12N2OS/c1-11(9,10)7-5-3-2-4-6(7)8/h2-7,9H,8H2,1H3
InChIKeyGSONVJSOVTXTIJ-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.48
Rot. Bonds1

About 6-(methylsulfonimidoyl)cyclohexa-2,4-dien-1-amine

6-(methylsulfonimidoyl)cyclohexa-2,4-dien-1-amine (PubChem CID 59847843) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 6-(methylsulfonimidoyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-(methylsulfonimidoyl)cyclohexa-2,4-dien-1-amine
PubChem CID59847843
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name6-(methylsulfonimidoyl)cyclohexa-2,4-dien-1-amine
SMILES[H]N=S(C)(=O)C1C=CC=CC1N
InChIInChI=1S/C7H12N2OS/c1-11(9,10)7-5-3-2-4-6(7)8/h2-7,9H,8H2,1H3
InChIKeyGSONVJSOVTXTIJ-UHFFFAOYSA-N
XLogP0.48
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(methylsulfonimidoyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-(methylsulfonimidoyl)cyclohexa-2,4-dien-1-amine (CID 59847843) is 6-(methylsulfonimidoyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-(methylsulfonimidoyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-(methylsulfonimidoyl)cyclohexa-2,4-dien-1-amine is [H]N=S(C)(=O)C1C=CC=CC1N.
What is the InChIKey of 6-(methylsulfonimidoyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is GSONVJSOVTXTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-11(9,10)7-5-3-2-4-6(7)8/h2-7,9H,8H2,1H3.
What are the key properties of 6-(methylsulfonimidoyl)cyclohexa-2,4-dien-1-amine?
6-(methylsulfonimidoyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 172.25 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylsulfonimidoyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 59847843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).