1-(1-aminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-2,4-dien-1-amine

C12H16N2O2S — CID 19809752

IUPAC1-(1-aminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-2,4-dien-1-amine
SMILESNC1(S(=O)(=O)C2(N)C=CC=CC2)C=CC=CC1
InChIInChI=1S/C12H16N2O2S/c13-11(7-3-1-4-8-11)17(15,16)12(14)9-5-2-6-10-12/h1-7,9H,8,10,13-14H2
InChIKeyUQFROBCOBUWCKD-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.74
Rot. Bonds2

About 1-(1-aminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-2,4-dien-1-amine

1-(1-aminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-2,4-dien-1-amine (PubChem CID 19809752) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-(1-aminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-(1-aminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-2,4-dien-1-amine
PubChem CID19809752
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name1-(1-aminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-2,4-dien-1-amine
SMILESNC1(S(=O)(=O)C2(N)C=CC=CC2)C=CC=CC1
InChIInChI=1S/C12H16N2O2S/c13-11(7-3-1-4-8-11)17(15,16)12(14)9-5-2-6-10-12/h1-7,9H,8,10,13-14H2
InChIKeyUQFROBCOBUWCKD-UHFFFAOYSA-N
XLogP0.74
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-Diaminophenylsulfone
CID 68652076
5-(5,5-Diaminocyclohexa-1,3-dien-1-yl)sulfonylcyclohexa-2,4-diene-1,1-diamine
CID 18779494
4-(1,4-Diaminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-1,5-diene-1,4-diamine
CID 68652220
3-(3,3-Diaminocyclohexa-1,5-dien-1-yl)sulfonylcyclohexa-2,4-diene-1,1-diamine
CID 69050054
1-(1,5-Diaminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-3,5-diene-1,3-diamine
CID 70494279
4-(1,4-Diaminocyclohexa-2,4-dien-1-yl)sulfinylcyclohexa-1,5-diene-1,4-diamine
CID 141074656
1-Methylsulfonylcyclohexa-2,4-dien-1-amine
CID 150922215
1-Propan-2-ylsulfonylcyclohexa-2,4-dien-1-amine
CID 151789723
4-(4-Aminocyclohexa-1,3-dien-1-yl)sulfonylcyclohexa-1,3-dien-1-amine
CID 169961945

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-(1-aminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-2,4-dien-1-amine (CID 19809752) is 1-(1-aminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-(1-aminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-(1-aminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-2,4-dien-1-amine is NC1(S(=O)(=O)C2(N)C=CC=CC2)C=CC=CC1.
What is the InChIKey of 1-(1-aminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-2,4-dien-1-amine?
The InChIKey is UQFROBCOBUWCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c13-11(7-3-1-4-8-11)17(15,16)12(14)9-5-2-6-10-12/h1-7,9H,8,10,13-14H2.
What are the key properties of 1-(1-aminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-2,4-dien-1-amine?
1-(1-aminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-2,4-dien-1-amine has a molecular weight of 252.34 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexa-2,4-dien-1-yl)sulfonylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 19809752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).