6-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide

C7H12N2O2S — CID 67813010

IUPAC6-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC1(N)C=CC=CC1S(N)(=O)=O
InChIInChI=1S/C7H12N2O2S/c1-7(8)5-3-2-4-6(7)12(9,10)11/h2-6H,8H2,1H3,(H2,9,10,11)
InChIKeyRGPDLVCPZVKDFA-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.51
Rot. Bonds1

About 6-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide

6-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide (PubChem CID 67813010) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 6-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name6-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide
PubChem CID67813010
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name6-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC1(N)C=CC=CC1S(N)(=O)=O
InChIInChI=1S/C7H12N2O2S/c1-7(8)5-3-2-4-6(7)12(9,10)11/h2-6H,8H2,1H3,(H2,9,10,11)
InChIKeyRGPDLVCPZVKDFA-UHFFFAOYSA-N
XLogP-0.51
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

p-Aminosulfanilamide
CID 129781670
Dihydro-sulphanilamide
CID 154559466
3-Amino-3-methylcyclohexa-1,5-diene-1-sulfonic acid
CID 20149532
3-Amino-6-methylcyclohexa-2,4-diene-1-sulfonamide
CID 58128730
1-Amino-6-methylcyclohexa-2,4-diene-1-sulfonamide
CID 69408021
6-Amino-3,6-dimethylcyclohexa-2,4-diene-1-sulfonic acid
CID 88712152
Sodium (1-aminocyclohexa-2,4-dien-1-yl)methanesulfonate
CID 89943346
(1-Aminocyclohexa-2,4-dien-1-yl)methanesulfonic acid
CID 89943347
4-Amino-4-(aminomethyl)cyclohexa-1,5-diene-1-sulfonamide
CID 129643455
4,5-Diaminocyclohexa-2,4-diene-1-sulfonamide
CID 134424015
1-Aminocyclohexa-2,4-diene-1-sulfonamide
CID 142689457
(2S)-3-amino-3-methylpent-4-ene-2-sulfonamide
CID 143368080

Frequently Asked Questions

What is the IUPAC name of 6-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 6-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide (CID 67813010) is 6-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 6-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 6-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide is CC1(N)C=CC=CC1S(N)(=O)=O.
What is the InChIKey of 6-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is RGPDLVCPZVKDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-7(8)5-3-2-4-6(7)12(9,10)11/h2-6H,8H2,1H3,(H2,9,10,11).
What are the key properties of 6-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide?
6-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 188.25 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 67813010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).