N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylsulfanylpropanamide

C9H19N3O2S — CID 104873806

IUPACN-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C9H19N3O2S/c1-9(2,8(10)12-14)6-11-7(13)4-5-15-3/h14H,4-6H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyBZVOJDCHMUOIRU-UHFFFAOYSA-N
MW233.34 g/mol
LogP0.63
Rot. Bonds6

About N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylsulfanylpropanamide

N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylsulfanylpropanamide (PubChem CID 104873806) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylsulfanylpropanamide
PubChem CID104873806
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC NameN-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C9H19N3O2S/c1-9(2,8(10)12-14)6-11-7(13)4-5-15-3/h14H,4-6H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyBZVOJDCHMUOIRU-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-2,2-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]propanamide
CID 106432167
3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-methylsulfonylethyl)propanamide
CID 76920005
3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfonylpropyl)propanamide
CID 76921068
N'-hydroxy-2,2-dimethyl-3-oxo-3-(1,4-thiazepan-4-yl)propanimidamide
CID 76921228
3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfanylpropyl)propanamide
CID 76996491
3-amino-3-hydroxyimino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)propanamide
CID 76996495
2-(N'-hydroxycarbamimidoyl)-N-(2-methyl-3-methylsulfanylpropyl)butanamide
CID 76996518
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
CID 76996520
3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-methylsulfanylethyl)propanamide
CID 76996563
2-(N'-hydroxycarbamimidoyl)-N-(2-methylsulfanylethyl)butanamide
CID 76996564
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylsulfanylethyl)butanamide
CID 76996566
3-amino-3-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide
CID 76996569

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylsulfanylpropanamide (CID 104873806) is N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylsulfanylpropanamide is CSCCC(=O)NCC(C)(C)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylsulfanylpropanamide?
The InChIKey is BZVOJDCHMUOIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-9(2,8(10)12-14)6-11-7(13)4-5-15-3/h14H,4-6H2,1-3H3,(H2,10,12)(H,11,13).
What are the key properties of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylsulfanylpropanamide?
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-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-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 104873806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).