N'-hydroxy-3-[2-methoxyethyl(3-methylbutylsulfonyl)amino]propanimidamide

C11H25N3O4S — CID 55261880

IUPACN'-hydroxy-3-[2-methoxyethyl(3-methylbutylsulfonyl)amino]propanimidamide
SMILESCOCCN(CC/C(N)=N/O)S(=O)(=O)CCC(C)C
InChIInChI=1S/C11H25N3O4S/c1-10(2)5-9-19(16,17)14(7-8-18-3)6-4-11(12)13-15/h10,15H,4-9H2,1-3H3,(H2,12,13)
InChIKeyPJDCZQRWNOOSKN-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.45
Rot. Bonds10

About N'-hydroxy-3-[2-methoxyethyl(3-methylbutylsulfonyl)amino]propanimidamide

N'-hydroxy-3-[2-methoxyethyl(3-methylbutylsulfonyl)amino]propanimidamide (PubChem CID 55261880) has the molecular formula C11H25N3O4S and a molecular weight of 295.41 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methoxyethyl(3-methylbutylsulfonyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methoxyethyl(3-methylbutylsulfonyl)amino]propanimidamide
PubChem CID55261880
Molecular FormulaC11H25N3O4S
Molecular Weight295.41 g/mol
Exact Mass295.16
IUPAC NameN'-hydroxy-3-[2-methoxyethyl(3-methylbutylsulfonyl)amino]propanimidamide
SMILESCOCCN(CC/C(N)=N/O)S(=O)(=O)CCC(C)C
InChIInChI=1S/C11H25N3O4S/c1-10(2)5-9-19(16,17)14(7-8-18-3)6-4-11(12)13-15/h10,15H,4-9H2,1-3H3,(H2,12,13)
InChIKeyPJDCZQRWNOOSKN-UHFFFAOYSA-N
XLogP0.45
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-methoxyethyl(3-methylbutylsulfonyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methoxyethyl(3-methylbutylsulfonyl)amino]propanimidamide (CID 55261880) is N'-hydroxy-3-[2-methoxyethyl(3-methylbutylsulfonyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methoxyethyl(3-methylbutylsulfonyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methoxyethyl(3-methylbutylsulfonyl)amino]propanimidamide is COCCN(CC/C(N)=N/O)S(=O)(=O)CCC(C)C.
What is the InChIKey of N'-hydroxy-3-[2-methoxyethyl(3-methylbutylsulfonyl)amino]propanimidamide?
The InChIKey is PJDCZQRWNOOSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O4S/c1-10(2)5-9-19(16,17)14(7-8-18-3)6-4-11(12)13-15/h10,15H,4-9H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[2-methoxyethyl(3-methylbutylsulfonyl)amino]propanimidamide?
N'-hydroxy-3-[2-methoxyethyl(3-methylbutylsulfonyl)amino]propanimidamide has a molecular weight of 295.41 g/mol, XLogP of 0.45, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methoxyethyl(3-methylbutylsulfonyl)amino]propanimidamide is sourced from PubChem (CID 55261880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).