N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methylsulfonylacetamide

C9H19N3O4S — CID 77015078

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methylsulfonylacetamide
SMILESCCN(CC(C)C(N)=NO)C(=O)CS(C)(=O)=O
InChIInChI=1S/C9H19N3O4S/c1-4-12(5-7(2)9(10)11-14)8(13)6-17(3,15)16/h7,14H,4-6H2,1-3H3,(H2,10,11)
InChIKeyTWSDDKNJPCCPKC-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.74
Rot. Bonds6

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methylsulfonylacetamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methylsulfonylacetamide (PubChem CID 77015078) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methylsulfonylacetamide
PubChem CID77015078
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methylsulfonylacetamide
SMILESCCN(CC(C)C(N)=NO)C(=O)CS(C)(=O)=O
InChIInChI=1S/C9H19N3O4S/c1-4-12(5-7(2)9(10)11-14)8(13)6-17(3,15)16/h7,14H,4-6H2,1-3H3,(H2,10,11)
InChIKeyTWSDDKNJPCCPKC-UHFFFAOYSA-N
XLogP-0.74
TPSA113.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.74
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'}

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Related Compounds

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide
CID 54987486
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylsulfonylacetamide
CID 77015086
1-(3-amino-3-hydroxyimino-2-methylpropyl)-1-ethyl-3-propan-2-ylurea
CID 76910719
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-2-methylsulfonylacetamide
CID 77015123
3-[ethyl(methylsulfonylmethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 82843072
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-tert-butyl-1-ethylurea
CID 54988667
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-2-thiophen-3-ylacetamide
CID 54987583
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-methylsulfonylacetamide
CID 77015110
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2,6-difluorobenzamide
CID 76910656
N'-hydroxy-2-methyl-3-[methyl(methylsulfonyl)amino]propanimidamide
CID 76910929
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 77056008
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide
CID 76910736

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methylsulfonylacetamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methylsulfonylacetamide (CID 77015078) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methylsulfonylacetamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methylsulfonylacetamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methylsulfonylacetamide is CCN(CC(C)C(N)=NO)C(=O)CS(C)(=O)=O.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methylsulfonylacetamide?
The InChIKey is TWSDDKNJPCCPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4S/c1-4-12(5-7(2)9(10)11-14)8(13)6-17(3,15)16/h7,14H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methylsulfonylacetamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methylsulfonylacetamide has a molecular weight of 265.33 g/mol, XLogP of -0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methylsulfonylacetamide is sourced from PubChem (CID 77015078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).