3-amino-N,6-dimethylcyclohexa-1,5-diene-1-sulfonamide

C8H14N2O2S — CID 121285439

IUPAC3-amino-N,6-dimethylcyclohexa-1,5-diene-1-sulfonamide
SMILESCNS(=O)(=O)C1=CC(N)CC=C1C
InChIInChI=1S/C8H14N2O2S/c1-6-3-4-7(9)5-8(6)13(11,12)10-2/h3,5,7,10H,4,9H2,1-2H3
InChIKeyXRFBVCFSODZQJZ-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.10
Rot. Bonds2

About 3-amino-N,6-dimethylcyclohexa-1,5-diene-1-sulfonamide

3-amino-N,6-dimethylcyclohexa-1,5-diene-1-sulfonamide (PubChem CID 121285439) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 3-amino-N,6-dimethylcyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N,6-dimethylcyclohexa-1,5-diene-1-sulfonamide
PubChem CID121285439
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name3-amino-N,6-dimethylcyclohexa-1,5-diene-1-sulfonamide
SMILESCNS(=O)(=O)C1=CC(N)CC=C1C
InChIInChI=1S/C8H14N2O2S/c1-6-3-4-7(9)5-8(6)13(11,12)10-2/h3,5,7,10H,4,9H2,1-2H3
InChIKeyXRFBVCFSODZQJZ-UHFFFAOYSA-N
XLogP0.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,6-dimethylcyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of 3-amino-N,6-dimethylcyclohexa-1,5-diene-1-sulfonamide (CID 121285439) is 3-amino-N,6-dimethylcyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for 3-amino-N,6-dimethylcyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for 3-amino-N,6-dimethylcyclohexa-1,5-diene-1-sulfonamide is CNS(=O)(=O)C1=CC(N)CC=C1C.
What is the InChIKey of 3-amino-N,6-dimethylcyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is XRFBVCFSODZQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-6-3-4-7(9)5-8(6)13(11,12)10-2/h3,5,7,10H,4,9H2,1-2H3.
What are the key properties of 3-amino-N,6-dimethylcyclohexa-1,5-diene-1-sulfonamide?
3-amino-N,6-dimethylcyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 202.28 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,6-dimethylcyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 121285439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).