N-(2-amino-2-hydroxyiminoethyl)-2-methylsulfanyl-N-propan-2-ylacetamide

C8H17N3O2S — CID 77038056

IUPACN-(2-amino-2-hydroxyiminoethyl)-2-methylsulfanyl-N-propan-2-ylacetamide
SMILESCSCC(=O)N(CC(N)=NO)C(C)C
InChIInChI=1S/C8H17N3O2S/c1-6(2)11(4-7(9)10-13)8(12)5-14-3/h6,13H,4-5H2,1-3H3,(H2,9,10)
InChIKeyLUZAOYMVFPHOJU-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.33
Rot. Bonds5

About N-(2-amino-2-hydroxyiminoethyl)-2-methylsulfanyl-N-propan-2-ylacetamide

N-(2-amino-2-hydroxyiminoethyl)-2-methylsulfanyl-N-propan-2-ylacetamide (PubChem CID 77038056) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-2-methylsulfanyl-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-2-methylsulfanyl-N-propan-2-ylacetamide
PubChem CID77038056
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-2-methylsulfanyl-N-propan-2-ylacetamide
SMILESCSCC(=O)N(CC(N)=NO)C(C)C
InChIInChI=1S/C8H17N3O2S/c1-6(2)11(4-7(9)10-13)8(12)5-14-3/h6,13H,4-5H2,1-3H3,(H2,9,10)
InChIKeyLUZAOYMVFPHOJU-UHFFFAOYSA-N
XLogP0.33
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.33
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-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yloctanamide
CID 77044667
N-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide
CID 77037878
1-(2-amino-2-hydroxyiminoethyl)-1-propan-2-yl-3-propylurea
CID 77038006
1-(2-amino-2-hydroxyiminoethyl)-3-butyl-1-propan-2-ylurea
CID 77038065
N-(2-amino-2-hydroxyiminoethyl)-2-(2-fluorophenyl)-N-propan-2-ylacetamide
CID 77044509
N-(2-amino-2-hydroxyiminoethyl)-2-(4-chlorophenoxy)-N-propan-2-ylacetamide
CID 77044875
N-(2-amino-2-hydroxyiminoethyl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
CID 77044659
2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77044960
N-(2-amino-2-hydroxyiminoethyl)-2,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 77044978
N-(2-amino-2-hydroxyiminoethyl)-4-fluoro-N-propan-2-ylbenzamide
CID 77044558
2-[(2-piperidin-4-ylsulfanylacetyl)-propan-2-ylamino]acetamide
CID 114626630
N-(2-amino-2-hydroxyiminoethyl)-2,4,6-trifluoro-N-propan-2-ylbenzamide
CID 77056038

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2-methylsulfanyl-N-propan-2-ylacetamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2-methylsulfanyl-N-propan-2-ylacetamide (CID 77038056) is N-(2-amino-2-hydroxyiminoethyl)-2-methylsulfanyl-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-2-methylsulfanyl-N-propan-2-ylacetamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-2-methylsulfanyl-N-propan-2-ylacetamide is CSCC(=O)N(CC(N)=NO)C(C)C.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-2-methylsulfanyl-N-propan-2-ylacetamide?
The InChIKey is LUZAOYMVFPHOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-6(2)11(4-7(9)10-13)8(12)5-14-3/h6,13H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-2-methylsulfanyl-N-propan-2-ylacetamide?
N-(2-amino-2-hydroxyiminoethyl)-2-methylsulfanyl-N-propan-2-ylacetamide has a molecular weight of 219.31 g/mol, XLogP of 0.33, 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)-2-methylsulfanyl-N-propan-2-ylacetamide is sourced from PubChem (CID 77038056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).