N-methyl-N-methylsulfonyl-2-oxo-2-phenylethanimidamide

C10H12N2O3S — CID 162412887

IUPACN-methyl-N-methylsulfonyl-2-oxo-2-phenylethanimidamide
SMILES[H]/N=C(/C(=O)c1ccccc1)N(C)S(C)(=O)=O
InChIInChI=1S/C10H12N2O3S/c1-12(16(2,14)15)10(11)9(13)8-6-4-3-5-7-8/h3-7,11H,1-2H3/b11-10-
InChIKeyXJBNDPMAZTYALD-KHPPLWFESA-N
MW240.28 g/mol
LogP0.74
Rot. Bonds3

About N-methyl-N-methylsulfonyl-2-oxo-2-phenylethanimidamide

N-methyl-N-methylsulfonyl-2-oxo-2-phenylethanimidamide (PubChem CID 162412887) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is N-methyl-N-methylsulfonyl-2-oxo-2-phenylethanimidamide.

Molecular Properties

Compound NameN-methyl-N-methylsulfonyl-2-oxo-2-phenylethanimidamide
PubChem CID162412887
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC NameN-methyl-N-methylsulfonyl-2-oxo-2-phenylethanimidamide
SMILES[H]/N=C(/C(=O)c1ccccc1)N(C)S(C)(=O)=O
InChIInChI=1S/C10H12N2O3S/c1-12(16(2,14)15)10(11)9(13)8-6-4-3-5-7-8/h3-7,11H,1-2H3/b11-10-
InChIKeyXJBNDPMAZTYALD-KHPPLWFESA-N
XLogP0.74
TPSA78.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-N-methylsulfonyl-2-oxo-2-phenylethanimidamide?
The IUPAC name of N-methyl-N-methylsulfonyl-2-oxo-2-phenylethanimidamide (CID 162412887) is N-methyl-N-methylsulfonyl-2-oxo-2-phenylethanimidamide.
What is the SMILES notation for N-methyl-N-methylsulfonyl-2-oxo-2-phenylethanimidamide?
The canonical SMILES for N-methyl-N-methylsulfonyl-2-oxo-2-phenylethanimidamide is [H]/N=C(/C(=O)c1ccccc1)N(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-methylsulfonyl-2-oxo-2-phenylethanimidamide?
The InChIKey is XJBNDPMAZTYALD-KHPPLWFESA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-12(16(2,14)15)10(11)9(13)8-6-4-3-5-7-8/h3-7,11H,1-2H3/b11-10-.
What are the key properties of N-methyl-N-methylsulfonyl-2-oxo-2-phenylethanimidamide?
N-methyl-N-methylsulfonyl-2-oxo-2-phenylethanimidamide has a molecular weight of 240.28 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-methylsulfonyl-2-oxo-2-phenylethanimidamide is sourced from PubChem (CID 162412887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).