2-(dimethylsulfamoylamino)-6-methylbenzenecarboximidamide

C10H16N4O2S — CID 107806235

IUPAC2-(dimethylsulfamoylamino)-6-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(C)cccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C10H16N4O2S/c1-7-5-4-6-8(9(7)10(11)12)13-17(15,16)14(2)3/h4-6,13H,1-3H3,(H3,11,12)
InChIKeyITNWNMWJUQHJRB-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.50
Rot. Bonds4

About 2-(dimethylsulfamoylamino)-6-methylbenzenecarboximidamide

2-(dimethylsulfamoylamino)-6-methylbenzenecarboximidamide (PubChem CID 107806235) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-6-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-6-methylbenzenecarboximidamide
PubChem CID107806235
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name2-(dimethylsulfamoylamino)-6-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(C)cccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C10H16N4O2S/c1-7-5-4-6-8(9(7)10(11)12)13-17(15,16)14(2)3/h4-6,13H,1-3H3,(H3,11,12)
InChIKeyITNWNMWJUQHJRB-UHFFFAOYSA-N
XLogP0.50
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.50
H-Bond Donors ≤ 53
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-(dimethylsulfamoylamino)-6-methylbenzenecarboximidamide?
The IUPAC name of 2-(dimethylsulfamoylamino)-6-methylbenzenecarboximidamide (CID 107806235) is 2-(dimethylsulfamoylamino)-6-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-6-methylbenzenecarboximidamide?
The canonical SMILES for 2-(dimethylsulfamoylamino)-6-methylbenzenecarboximidamide is [H]/N=C(\N)c1c(C)cccc1NS(=O)(=O)N(C)C.
What is the InChIKey of 2-(dimethylsulfamoylamino)-6-methylbenzenecarboximidamide?
The InChIKey is ITNWNMWJUQHJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-7-5-4-6-8(9(7)10(11)12)13-17(15,16)14(2)3/h4-6,13H,1-3H3,(H3,11,12).
What are the key properties of 2-(dimethylsulfamoylamino)-6-methylbenzenecarboximidamide?
2-(dimethylsulfamoylamino)-6-methylbenzenecarboximidamide has a molecular weight of 256.33 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-6-methylbenzenecarboximidamide is sourced from PubChem (CID 107806235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).