N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-phenylsulfanylacetamide

C11H15N3O2S — CID 79205398

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-phenylsulfanylacetamide
SMILESCN(CC(N)=NO)C(=O)CSc1ccccc1
InChIInChI=1S/C11H15N3O2S/c1-14(7-10(12)13-16)11(15)8-17-9-5-3-2-4-6-9/h2-6,16H,7-8H2,1H3,(H2,12,13)
InChIKeyZPRZAFRDDMVGPA-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.98
Rot. Bonds5

About N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-phenylsulfanylacetamide

N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-phenylsulfanylacetamide (PubChem CID 79205398) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-phenylsulfanylacetamide
PubChem CID79205398
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-phenylsulfanylacetamide
SMILESCN(CC(N)=NO)C(=O)CSc1ccccc1
InChIInChI=1S/C11H15N3O2S/c1-14(7-10(12)13-16)11(15)8-17-9-5-3-2-4-6-9/h2-6,16H,7-8H2,1H3,(H2,12,13)
InChIKeyZPRZAFRDDMVGPA-UHFFFAOYSA-N
XLogP0.98
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-phenylsulfanylacetamide
CID 10921439
N-(2-amino-2-hydroxyiminoethyl)-N-methylbenzamide
CID 76928946
N-(cyanomethyl)-N-methyl-2-phenylsulfanylacetamide
CID 78915937
N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 26619662
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-phenylsulfanylacetamide;hydrochloride
CID 119454684
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 76929282
N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide
CID 76929143
N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide
CID 78762330
4-[methyl-(2-phenylsulfanylacetyl)amino]benzoic acid
CID 104698113
1-(2-amino-2-hydroxyiminoethyl)-3-(2-fluorophenyl)-1-methylurea
CID 76929064
3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid
CID 119233131
N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide
CID 76928863

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-phenylsulfanylacetamide (CID 79205398) is N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-phenylsulfanylacetamide is CN(CC(N)=NO)C(=O)CSc1ccccc1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-phenylsulfanylacetamide?
The InChIKey is ZPRZAFRDDMVGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-14(7-10(12)13-16)11(15)8-17-9-5-3-2-4-6-9/h2-6,16H,7-8H2,1H3,(H2,12,13).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-phenylsulfanylacetamide?
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-phenylsulfanylacetamide has a molecular weight of 253.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 79205398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).