3-amino-3-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide

C7H15N3O2S — CID 76996569

IUPAC3-amino-3-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide
SMILESCSCCCNC(=O)CC(N)=NO
InChIInChI=1S/C7H15N3O2S/c1-13-4-2-3-9-7(11)5-6(8)10-12/h12H,2-5H2,1H3,(H2,8,10)(H,9,11)
InChIKeyHPTQRHCRNIKQJY-UHFFFAOYSA-N
MW205.28 g/mol
LogP-0.01
Rot. Bonds6

About 3-amino-3-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide

3-amino-3-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide (PubChem CID 76996569) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide
PubChem CID76996569
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name3-amino-3-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide
SMILESCSCCCNC(=O)CC(N)=NO
InChIInChI=1S/C7H15N3O2S/c1-13-4-2-3-9-7(11)5-6(8)10-12/h12H,2-5H2,1H3,(H2,8,10)(H,9,11)
InChIKeyHPTQRHCRNIKQJY-UHFFFAOYSA-N
XLogP-0.01
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.01
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

(3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide
CID 43156042
3-amino-3-hydroxyimino-N-(3-sulfamoylpropyl)propanamide
CID 76927870
4-hydroxy-N-(3-methylsulfanylpropyl)butanamide
CID 79191399
N'-hydroxy-3-(3-methylsulfanylpropylamino)butanimidamide
CID 77029537
N-(5-methylsulfanylpentyl)propanamide
CID 104920124
3-amino-N-(2-methylsulfanylethyl)-3-sulfanylidenepropanamide
CID 63958907
(2R)-2-amino-N-(3-methylsulfanylpropyl)propanamide
CID 63957568
N'-hydroxy-3-(3-methylsulfanylpropylamino)pentanimidamide
CID 77029932
2-[1-(aminomethyl)cyclohexyl]-N-(3-methylsulfanylpropyl)acetamide
CID 59780090
2-(N'-hydroxycarbamimidoyl)-N-(5-methylsulfanylpentyl)butanamide
CID 114128844
N-(3-methylsulfanylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030296
2-methyl-2-(3-methylsulfanylpropylamino)propanamide
CID 61218812

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide (CID 76996569) is 3-amino-3-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide is CSCCCNC(=O)CC(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide?
The InChIKey is HPTQRHCRNIKQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-13-4-2-3-9-7(11)5-6(8)10-12/h12H,2-5H2,1H3,(H2,8,10)(H,9,11).
What are the key properties of 3-amino-3-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide?
3-amino-3-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide has a molecular weight of 205.28 g/mol, XLogP of -0.01, 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-N-(3-methylsulfanylpropyl)propanamide is sourced from PubChem (CID 76996569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).