N-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide

C9H19N3O4S — CID 104521813

IUPACN-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)NCCCCC(N)=NO)S(C)(=O)=O
InChIInChI=1S/C9H19N3O4S/c1-7(17(2,15)16)9(13)11-6-4-3-5-8(10)12-14/h7,14H,3-6H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyCQKAHHVAISKKGS-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.55
Rot. Bonds7

About N-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide

N-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide (PubChem CID 104521813) has the molecular formula C9H19N3O4S and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide
PubChem CID104521813
Molecular FormulaC9H19N3O4S
Molecular Weight265.33 g/mol
Exact Mass265.11
IUPAC NameN-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)NCCCCC(N)=NO)S(C)(=O)=O
InChIInChI=1S/C9H19N3O4S/c1-7(17(2,15)16)9(13)11-6-4-3-5-8(10)12-14/h7,14H,3-6H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyCQKAHHVAISKKGS-UHFFFAOYSA-N
XLogP-0.55
TPSA121.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
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'}

Analyze N-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide (CID 104521813) is N-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide is CC(C(=O)NCCCCC(N)=NO)S(C)(=O)=O.
What is the InChIKey of N-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide?
The InChIKey is CQKAHHVAISKKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4S/c1-7(17(2,15)16)9(13)11-6-4-3-5-8(10)12-14/h7,14H,3-6H2,1-2H3,(H2,10,12)(H,11,13).
What are the key properties of N-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide?
N-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide has a molecular weight of 265.33 g/mol, XLogP of -0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 104521813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).