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

C7H12N2O2S — CID 58128730

IUPAC3-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC1C=CC(N)=CC1S(N)(=O)=O
InChIInChI=1S/C7H12N2O2S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-5,7H,8H2,1H3,(H2,9,10,11)
InChIKeyANAMOPVZNFQRHU-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.31
Rot. Bonds1

About 3-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide

3-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide (PubChem CID 58128730) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name3-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide
PubChem CID58128730
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name3-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC1C=CC(N)=CC1S(N)(=O)=O
InChIInChI=1S/C7H12N2O2S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-5,7H,8H2,1H3,(H2,9,10,11)
InChIKeyANAMOPVZNFQRHU-UHFFFAOYSA-N
XLogP-0.31
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 ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 3-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide (CID 58128730) is 3-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 3-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 3-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide is CC1C=CC(N)=CC1S(N)(=O)=O.
What is the InChIKey of 3-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is ANAMOPVZNFQRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-5,7H,8H2,1H3,(H2,9,10,11).
What are the key properties of 3-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide?
3-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 188.25 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methylcyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 58128730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).