2-methyl-6-(sulfamoylamino)benzenecarboximidamide

C8H12N4O2S — CID 107806238

IUPAC2-methyl-6-(sulfamoylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(C)cccc1NS(N)(=O)=O
InChIInChI=1S/C8H12N4O2S/c1-5-3-2-4-6(7(5)8(9)10)12-15(11,13)14/h2-4,12H,1H3,(H3,9,10)(H2,11,13,14)
InChIKeyYYCSFWLXRAWCLH-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.11
Rot. Bonds3

About 2-methyl-6-(sulfamoylamino)benzenecarboximidamide

2-methyl-6-(sulfamoylamino)benzenecarboximidamide (PubChem CID 107806238) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-methyl-6-(sulfamoylamino)benzenecarboximidamide.

Molecular Properties

Compound Name2-methyl-6-(sulfamoylamino)benzenecarboximidamide
PubChem CID107806238
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name2-methyl-6-(sulfamoylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(C)cccc1NS(N)(=O)=O
InChIInChI=1S/C8H12N4O2S/c1-5-3-2-4-6(7(5)8(9)10)12-15(11,13)14/h2-4,12H,1H3,(H3,9,10)(H2,11,13,14)
InChIKeyYYCSFWLXRAWCLH-UHFFFAOYSA-N
XLogP-0.11
TPSA122.06 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(sulfamoylamino)benzenecarboximidamide?
The IUPAC name of 2-methyl-6-(sulfamoylamino)benzenecarboximidamide (CID 107806238) is 2-methyl-6-(sulfamoylamino)benzenecarboximidamide.
What is the SMILES notation for 2-methyl-6-(sulfamoylamino)benzenecarboximidamide?
The canonical SMILES for 2-methyl-6-(sulfamoylamino)benzenecarboximidamide is [H]/N=C(\N)c1c(C)cccc1NS(N)(=O)=O.
What is the InChIKey of 2-methyl-6-(sulfamoylamino)benzenecarboximidamide?
The InChIKey is YYCSFWLXRAWCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-5-3-2-4-6(7(5)8(9)10)12-15(11,13)14/h2-4,12H,1H3,(H3,9,10)(H2,11,13,14).
What are the key properties of 2-methyl-6-(sulfamoylamino)benzenecarboximidamide?
2-methyl-6-(sulfamoylamino)benzenecarboximidamide has a molecular weight of 228.28 g/mol, XLogP of -0.11, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(sulfamoylamino)benzenecarboximidamide is sourced from PubChem (CID 107806238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).