3-amino-3-hydroxyimino-2-methyl-N-(4-methylsulfanylbutan-2-yl)propanamide

C9H19N3O2S — CID 104864380

IUPAC3-amino-3-hydroxyimino-2-methyl-N-(4-methylsulfanylbutan-2-yl)propanamide
SMILESCSCCC(C)NC(=O)C(C)C(N)=NO
InChIInChI=1S/C9H19N3O2S/c1-6(4-5-15-3)11-9(13)7(2)8(10)12-14/h6-7,14H,4-5H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyFUZZLZSORXLMFA-UHFFFAOYSA-N
MW233.34 g/mol
LogP0.63
Rot. Bonds6

About 3-amino-3-hydroxyimino-2-methyl-N-(4-methylsulfanylbutan-2-yl)propanamide

3-amino-3-hydroxyimino-2-methyl-N-(4-methylsulfanylbutan-2-yl)propanamide (PubChem CID 104864380) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2-methyl-N-(4-methylsulfanylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2-methyl-N-(4-methylsulfanylbutan-2-yl)propanamide
PubChem CID104864380
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name3-amino-3-hydroxyimino-2-methyl-N-(4-methylsulfanylbutan-2-yl)propanamide
SMILESCSCCC(C)NC(=O)C(C)C(N)=NO
InChIInChI=1S/C9H19N3O2S/c1-6(4-5-15-3)11-9(13)7(2)8(10)12-14/h6-7,14H,4-5H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyFUZZLZSORXLMFA-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

3-amino-3-hydroxyimino-2-methyl-N-(4-methylhexan-2-yl)propanamide
CID 77070038
2,2-difluoro-N-(4-methylsulfanylbutan-2-yl)acetamide
CID 103516049
3-amino-3-hydroxyimino-2-methyl-N-octan-4-ylpropanamide
CID 106021394
1-(N'-hydroxycarbamimidoyl)-N-(4-methylsulfanylbutan-2-yl)cycloheptane-1-carboxamide
CID 104864374
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925722
2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide
CID 79027563
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide
CID 77038778
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide
CID 61253857
3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide
CID 76926545
(2S)-2-amino-N-(6-methylheptan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119262982
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide
CID 104908942
(2S)-2-amino-4-methylsulfanyl-N-pent-4-yn-2-ylbutanamide
CID 103950389

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-(4-methylsulfanylbutan-2-yl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-(4-methylsulfanylbutan-2-yl)propanamide (CID 104864380) is 3-amino-3-hydroxyimino-2-methyl-N-(4-methylsulfanylbutan-2-yl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2-methyl-N-(4-methylsulfanylbutan-2-yl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2-methyl-N-(4-methylsulfanylbutan-2-yl)propanamide is CSCCC(C)NC(=O)C(C)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2-methyl-N-(4-methylsulfanylbutan-2-yl)propanamide?
The InChIKey is FUZZLZSORXLMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-6(4-5-15-3)11-9(13)7(2)8(10)12-14/h6-7,14H,4-5H2,1-3H3,(H2,10,12)(H,11,13).
What are the key properties of 3-amino-3-hydroxyimino-2-methyl-N-(4-methylsulfanylbutan-2-yl)propanamide?
3-amino-3-hydroxyimino-2-methyl-N-(4-methylsulfanylbutan-2-yl)propanamide 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 3-amino-3-hydroxyimino-2-methyl-N-(4-methylsulfanylbutan-2-yl)propanamide is sourced from PubChem (CID 104864380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).