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

C16H24N2O2S — CID 141441513

IUPAC5-(5-amino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-dien-1-amine
SMILESCC1C(N)=CC=CC1(C)S(=O)(=O)C1(C)C=CC=C(N)C1C
InChIInChI=1S/C16H24N2O2S/c1-11-13(17)7-5-9-15(11,3)21(19,20)16(4)10-6-8-14(18)12(16)2/h5-12H,17-18H2,1-4H3
InChIKeyXGHODKUVDIJTLF-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.02
Rot. Bonds2

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

5-(5-amino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 141441513) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 5-(5-amino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name5-(5-amino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID141441513
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name5-(5-amino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-dien-1-amine
SMILESCC1C(N)=CC=CC1(C)S(=O)(=O)C1(C)C=CC=C(N)C1C
InChIInChI=1S/C16H24N2O2S/c1-11-13(17)7-5-9-15(11,3)21(19,20)16(4)10-6-8-14(18)12(16)2/h5-12H,17-18H2,1-4H3
InChIKeyXGHODKUVDIJTLF-UHFFFAOYSA-N
XLogP2.02
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 5-(5-amino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-dien-1-amine (CID 141441513) is 5-(5-amino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 5-(5-amino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 5-(5-amino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-dien-1-amine is CC1C(N)=CC=CC1(C)S(=O)(=O)C1(C)C=CC=C(N)C1C.
What is the InChIKey of 5-(5-amino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is XGHODKUVDIJTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11-13(17)7-5-9-15(11,3)21(19,20)16(4)10-6-8-14(18)12(16)2/h5-12H,17-18H2,1-4H3.
What are the key properties of 5-(5-amino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-dien-1-amine?
5-(5-amino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 308.45 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-5,6-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 141441513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).