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

C6H14N4O4S — CID 76927870

IUPAC3-amino-3-hydroxyimino-N-(3-sulfamoylpropyl)propanamide
SMILESNC(CC(=O)NCCCS(N)(=O)=O)=NO
InChIInChI=1S/C6H14N4O4S/c7-5(10-12)4-6(11)9-2-1-3-15(8,13)14/h12H,1-4H2,(H2,7,10)(H,9,11)(H2,8,13,14)
InChIKeyKPSXDPRBTGGTGA-UHFFFAOYSA-N
MW238.27 g/mol
LogP-2.08
Rot. Bonds6

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

3-amino-3-hydroxyimino-N-(3-sulfamoylpropyl)propanamide (PubChem CID 76927870) has the molecular formula C6H14N4O4S and a molecular weight of 238.27 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-(3-sulfamoylpropyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-(3-sulfamoylpropyl)propanamide
PubChem CID76927870
Molecular FormulaC6H14N4O4S
Molecular Weight238.27 g/mol
Exact Mass238.07
IUPAC Name3-amino-3-hydroxyimino-N-(3-sulfamoylpropyl)propanamide
SMILESNC(CC(=O)NCCCS(N)(=O)=O)=NO
InChIInChI=1S/C6H14N4O4S/c7-5(10-12)4-6(11)9-2-1-3-15(8,13)14/h12H,1-4H2,(H2,7,10)(H,9,11)(H2,8,13,14)
InChIKeyKPSXDPRBTGGTGA-UHFFFAOYSA-N
XLogP-2.08
TPSA147.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 5-2.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

3-oxo-3-(3-sulfamoylpropylamino)propanoic acid
CID 62230975
(3Z)-3-amino-3-hydroxyimino-N-pentylpropanamide
CID 43156042
3-amino-3-hydroxyimino-N-(3-methylsulfanylpropyl)propanamide
CID 76996569
N-(3-sulfamoylpropyl)prop-2-ynamide
CID 61132242
3-oxo-3-(2-sulfamoylethylamino)propanoic acid
CID 62230210
2-(prop-2-enylamino)-N-(3-sulfamoylpropyl)acetamide
CID 79280560
2,2-difluoro-N-(3-sulfamoylpropyl)acetamide
CID 103514706
2-(3-sulfamoylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 113361074
3-oxo-N-(2-sulfamoylethyl)butanamide
CID 60933288
3-amino-3-hydroxyimino-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 76947376
2-(3-chlorophenyl)-N-(3-sulfamoylpropyl)acetamide
CID 62505682
3-hydrazinyl-N'-hydroxy-3-oxopropanimidamide
CID 2777210

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-(3-sulfamoylpropyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-(3-sulfamoylpropyl)propanamide (CID 76927870) is 3-amino-3-hydroxyimino-N-(3-sulfamoylpropyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-(3-sulfamoylpropyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-(3-sulfamoylpropyl)propanamide is NC(CC(=O)NCCCS(N)(=O)=O)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N-(3-sulfamoylpropyl)propanamide?
The InChIKey is KPSXDPRBTGGTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O4S/c7-5(10-12)4-6(11)9-2-1-3-15(8,13)14/h12H,1-4H2,(H2,7,10)(H,9,11)(H2,8,13,14).
What are the key properties of 3-amino-3-hydroxyimino-N-(3-sulfamoylpropyl)propanamide?
3-amino-3-hydroxyimino-N-(3-sulfamoylpropyl)propanamide has a molecular weight of 238.27 g/mol, XLogP of -2.08, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-(3-sulfamoylpropyl)propanamide is sourced from PubChem (CID 76927870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).