4-(4-amino-3-methylcyclohexa-1,5-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-amine

C14H20N2O2S — CID 129054031

IUPAC4-(4-amino-3-methylcyclohexa-1,5-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1C=C(S(=O)(=O)C2=CC(C)C(N)C=C2)C=CC1N
InChIInChI=1S/C14H20N2O2S/c1-9-7-11(3-5-13(9)15)19(17,18)12-4-6-14(16)10(2)8-12/h3-10,13-14H,15-16H2,1-2H3
InChIKeyYVJZVTOIKBTNOM-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.24
Rot. Bonds2

About 4-(4-amino-3-methylcyclohexa-1,5-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-amine

4-(4-amino-3-methylcyclohexa-1,5-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-amine (PubChem CID 129054031) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-(4-amino-3-methylcyclohexa-1,5-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-(4-amino-3-methylcyclohexa-1,5-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-amine
PubChem CID129054031
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name4-(4-amino-3-methylcyclohexa-1,5-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1C=C(S(=O)(=O)C2=CC(C)C(N)C=C2)C=CC1N
InChIInChI=1S/C14H20N2O2S/c1-9-7-11(3-5-13(9)15)19(17,18)12-4-6-14(16)10(2)8-12/h3-10,13-14H,15-16H2,1-2H3
InChIKeyYVJZVTOIKBTNOM-UHFFFAOYSA-N
XLogP1.24
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-amino-3-methylcyclohexa-1,5-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylcyclohexa-1,5-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-(4-amino-3-methylcyclohexa-1,5-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-amine (CID 129054031) is 4-(4-amino-3-methylcyclohexa-1,5-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-(4-amino-3-methylcyclohexa-1,5-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-(4-amino-3-methylcyclohexa-1,5-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-amine is CC1C=C(S(=O)(=O)C2=CC(C)C(N)C=C2)C=CC1N.
What is the InChIKey of 4-(4-amino-3-methylcyclohexa-1,5-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is YVJZVTOIKBTNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9-7-11(3-5-13(9)15)19(17,18)12-4-6-14(16)10(2)8-12/h3-10,13-14H,15-16H2,1-2H3.
What are the key properties of 4-(4-amino-3-methylcyclohexa-1,5-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-amine?
4-(4-amino-3-methylcyclohexa-1,5-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 280.39 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methylcyclohexa-1,5-dien-1-yl)sulfonyl-6-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 129054031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).