N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-methylsulfonylacetamide

C7H15N3O4S — CID 77015123

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-methylsulfonylacetamide
SMILESCC(C(N)=NO)N(C)C(=O)CS(C)(=O)=O
InChIInChI=1S/C7H15N3O4S/c1-5(7(8)9-12)10(2)6(11)4-15(3,13)14/h5,12H,4H2,1-3H3,(H2,8,9)
InChIKeyQJWVFJILUNWRLG-UHFFFAOYSA-N
MW237.28 g/mol
LogP-1.38
Rot. Bonds4

About N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-methylsulfonylacetamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-methylsulfonylacetamide (PubChem CID 77015123) has the molecular formula C7H15N3O4S and a molecular weight of 237.28 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-methylsulfonylacetamide
PubChem CID77015123
Molecular FormulaC7H15N3O4S
Molecular Weight237.28 g/mol
Exact Mass237.08
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-methylsulfonylacetamide
SMILESCC(C(N)=NO)N(C)C(=O)CS(C)(=O)=O
InChIInChI=1S/C7H15N3O4S/c1-5(7(8)9-12)10(2)6(11)4-15(3,13)14/h5,12H,4H2,1-3H3,(H2,8,9)
InChIKeyQJWVFJILUNWRLG-UHFFFAOYSA-N
XLogP-1.38
TPSA113.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-methylsulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-2-methylsulfonylacetamide
CID 77015069
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-propan-2-yloxyacetamide
CID 103940460
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide
CID 76928101
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methylsulfonylacetamide
CID 77015078
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethoxy-N-methylpropanamide
CID 76946952
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-(4-chlorophenyl)-N-methylacetamide
CID 76928325
N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide
CID 76910929
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide
CID 76928336
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-methylsulfonylacetamide
CID 77015110
N-(1-cyanopropan-2-yl)-N-methyl-2-methylsulfonylacetamide
CID 63297028
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide
CID 77052808
N'-hydroxy-2-[4-(2-methylsulfonylacetyl)piperazin-1-yl]propanimidamide
CID 77015089

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-methylsulfonylacetamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-methylsulfonylacetamide (CID 77015123) is N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-methylsulfonylacetamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-methylsulfonylacetamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-methylsulfonylacetamide is CC(C(N)=NO)N(C)C(=O)CS(C)(=O)=O.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-methylsulfonylacetamide?
The InChIKey is QJWVFJILUNWRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O4S/c1-5(7(8)9-12)10(2)6(11)4-15(3,13)14/h5,12H,4H2,1-3H3,(H2,8,9).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-methylsulfonylacetamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-methylsulfonylacetamide has a molecular weight of 237.28 g/mol, XLogP of -1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-methylsulfonylacetamide is sourced from PubChem (CID 77015123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).