1-methylsulfonylcyclohexa-2,4-dien-1-amine

C7H11NO2S — CID 150922215

IUPAC1-methylsulfonylcyclohexa-2,4-dien-1-amine
SMILESCS(=O)(=O)C1(N)C=CC=CC1
InChIInChI=1S/C7H11NO2S/c1-11(9,10)7(8)5-3-2-4-6-7/h2-5H,6,8H2,1H3
InChIKeyLEGPKZVAOZWAFY-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.20
Rot. Bonds1

About 1-methylsulfonylcyclohexa-2,4-dien-1-amine

1-methylsulfonylcyclohexa-2,4-dien-1-amine (PubChem CID 150922215) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 1-methylsulfonylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-methylsulfonylcyclohexa-2,4-dien-1-amine
PubChem CID150922215
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name1-methylsulfonylcyclohexa-2,4-dien-1-amine
SMILESCS(=O)(=O)C1(N)C=CC=CC1
InChIInChI=1S/C7H11NO2S/c1-11(9,10)7(8)5-3-2-4-6-7/h2-5H,6,8H2,1H3
InChIKeyLEGPKZVAOZWAFY-UHFFFAOYSA-N
XLogP0.20
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-methylsulfonylcyclohexa-2,4-dien-1-amine (CID 150922215) is 1-methylsulfonylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-methylsulfonylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-methylsulfonylcyclohexa-2,4-dien-1-amine is CS(=O)(=O)C1(N)C=CC=CC1.
What is the InChIKey of 1-methylsulfonylcyclohexa-2,4-dien-1-amine?
The InChIKey is LEGPKZVAOZWAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-11(9,10)7(8)5-3-2-4-6-7/h2-5H,6,8H2,1H3.
What are the key properties of 1-methylsulfonylcyclohexa-2,4-dien-1-amine?
1-methylsulfonylcyclohexa-2,4-dien-1-amine has a molecular weight of 173.24 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 150922215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).