3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide

C9H19N3O3S — CID 104866162

IUPAC3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide
SMILESCS(=O)CCCNC(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C9H19N3O3S/c1-9(2,7(10)12-14)8(13)11-5-4-6-16(3)15/h14H,4-6H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyXKQSQNLIGFQBBJ-UHFFFAOYSA-N
MW249.34 g/mol
LogP-0.36
Rot. Bonds6

About 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide

3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide (PubChem CID 104866162) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide
PubChem CID104866162
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide
SMILESCS(=O)CCCNC(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C9H19N3O3S/c1-9(2,7(10)12-14)8(13)11-5-4-6-16(3)15/h14H,4-6H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyXKQSQNLIGFQBBJ-UHFFFAOYSA-N
XLogP-0.36
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
CID 76920014
3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide
CID 82944389
2-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfinylethyl)-2-propylpentanamide
CID 104864779
N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 104865064
3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)propanamide
CID 106326717
3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide
CID 76947361
3-amino-3-hydroxyimino-N-(3-imidazol-1-ylpropyl)-2,2-dimethylpropanamide
CID 76920009
3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79756969
1-(N'-hydroxycarbamimidoyl)-N-(3-methylsulfinylpropyl)cycloheptane-1-carboxamide
CID 104866156
3-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-hydroxyimino-2,2-dimethylpropanamide
CID 114167670
3-amino-3-hydroxyimino-2,2-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
CID 76920555
3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 76920821

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide (CID 104866162) is 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide is CS(=O)CCCNC(=O)C(C)(C)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide?
The InChIKey is XKQSQNLIGFQBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-9(2,7(10)12-14)8(13)11-5-4-6-16(3)15/h14H,4-6H2,1-3H3,(H2,10,12)(H,11,13).
What are the key properties of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide?
3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide has a molecular weight of 249.34 g/mol, XLogP of -0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide is sourced from PubChem (CID 104866162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).