N'-methyl-2-methylsulfonylethanimidamide

C4H10N2O2S — CID 54351623

IUPACN'-methyl-2-methylsulfonylethanimidamide
SMILESC/N=C(\N)CS(C)(=O)=O
InChIInChI=1S/C4H10N2O2S/c1-6-4(5)3-9(2,7)8/h3H2,1-2H3,(H2,5,6)
InChIKeyUGEJSENGFRISCY-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.98
Rot. Bonds2

About N'-methyl-2-methylsulfonylethanimidamide

N'-methyl-2-methylsulfonylethanimidamide (PubChem CID 54351623) has the molecular formula C4H10N2O2S and a molecular weight of 150.20 g/mol. Its IUPAC name is N'-methyl-2-methylsulfonylethanimidamide.

Molecular Properties

Compound NameN'-methyl-2-methylsulfonylethanimidamide
PubChem CID54351623
Molecular FormulaC4H10N2O2S
Molecular Weight150.20 g/mol
Exact Mass150.05
IUPAC NameN'-methyl-2-methylsulfonylethanimidamide
SMILESC/N=C(\N)CS(C)(=O)=O
InChIInChI=1S/C4H10N2O2S/c1-6-4(5)3-9(2,7)8/h3H2,1-2H3,(H2,5,6)
InChIKeyUGEJSENGFRISCY-UHFFFAOYSA-N
XLogP-0.98
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
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 N'-methyl-2-methylsulfonylethanimidamide?
The IUPAC name of N'-methyl-2-methylsulfonylethanimidamide (CID 54351623) is N'-methyl-2-methylsulfonylethanimidamide.
What is the SMILES notation for N'-methyl-2-methylsulfonylethanimidamide?
The canonical SMILES for N'-methyl-2-methylsulfonylethanimidamide is C/N=C(\N)CS(C)(=O)=O.
What is the InChIKey of N'-methyl-2-methylsulfonylethanimidamide?
The InChIKey is UGEJSENGFRISCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S/c1-6-4(5)3-9(2,7)8/h3H2,1-2H3,(H2,5,6).
What are the key properties of N'-methyl-2-methylsulfonylethanimidamide?
N'-methyl-2-methylsulfonylethanimidamide has a molecular weight of 150.20 g/mol, XLogP of -0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-methylsulfonylethanimidamide is sourced from PubChem (CID 54351623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).