N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide

C9H19N3O2S — CID 77038778

IUPACN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NC(C(N)=NO)C(C)C
InChIInChI=1S/C9H19N3O2S/c1-6(2)8(9(10)12-14)11-7(13)4-5-15-3/h6,8,14H,4-5H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyCGWBAKFNZGRPFV-UHFFFAOYSA-N
MW233.34 g/mol
LogP0.63
Rot. Bonds6

About N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide (PubChem CID 77038778) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide
PubChem CID77038778
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NC(C(N)=NO)C(C)C
InChIInChI=1S/C9H19N3O2S/c1-6(2)8(9(10)12-14)11-7(13)4-5-15-3/h6,8,14H,4-5H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyCGWBAKFNZGRPFV-UHFFFAOYSA-N
XLogP0.63
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 50.63
H-Bond Donors ≤ 53
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-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide
CID 114212897
tert-butyl (2R)-3-methyl-2-(3-methylsulfanylpropanoylamino)butanoate
CID 81003425
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 103940490
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide
CID 77038541
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 77038460
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propoxyacetamide
CID 107940590
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide
CID 77038692
N'-hydroxy-2-(2-methylsulfanylethylamino)propanimidamide
CID 77028476
3-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1,1-dimethylurea
CID 79153319
2-(3-methylsulfanylpropanoylamino)propanoic acid
CID 43183402
(2R)-2-(3-methylsulfanylpropanoylamino)propanoic acid
CID 28777824
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpentanamide
CID 77038862

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide (CID 77038778) is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide is CSCCC(=O)NC(C(N)=NO)C(C)C.
What is the InChIKey of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide?
The InChIKey is CGWBAKFNZGRPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-6(2)8(9(10)12-14)11-7(13)4-5-15-3/h6,8,14H,4-5H2,1-3H3,(H2,10,12)(H,11,13).
What are the key properties of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide?
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide has a molecular weight of 233.34 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 77038778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).