N'-hydroxy-3-[2-methoxyethylsulfonyl(methyl)amino]propanimidamide

C7H17N3O4S — CID 76912704

IUPACN'-hydroxy-3-[2-methoxyethylsulfonyl(methyl)amino]propanimidamide
SMILESCOCCS(=O)(=O)N(C)CCC(N)=NO
InChIInChI=1S/C7H17N3O4S/c1-10(4-3-7(8)9-11)15(12,13)6-5-14-2/h11H,3-6H2,1-2H3,(H2,8,9)
InChIKeyLTKMYBZSPVSDFU-UHFFFAOYSA-N
MW239.30 g/mol
LogP-0.97
Rot. Bonds7

About N'-hydroxy-3-[2-methoxyethylsulfonyl(methyl)amino]propanimidamide

N'-hydroxy-3-[2-methoxyethylsulfonyl(methyl)amino]propanimidamide (PubChem CID 76912704) has the molecular formula C7H17N3O4S and a molecular weight of 239.30 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methoxyethylsulfonyl(methyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methoxyethylsulfonyl(methyl)amino]propanimidamide
PubChem CID76912704
Molecular FormulaC7H17N3O4S
Molecular Weight239.30 g/mol
Exact Mass239.09
IUPAC NameN'-hydroxy-3-[2-methoxyethylsulfonyl(methyl)amino]propanimidamide
SMILESCOCCS(=O)(=O)N(C)CCC(N)=NO
InChIInChI=1S/C7H17N3O4S/c1-10(4-3-7(8)9-11)15(12,13)6-5-14-2/h11H,3-6H2,1-2H3,(H2,8,9)
InChIKeyLTKMYBZSPVSDFU-UHFFFAOYSA-N
XLogP-0.97
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 5-0.97
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-methoxyethylsulfonyl(methyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methoxyethylsulfonyl(methyl)amino]propanimidamide (CID 76912704) is N'-hydroxy-3-[2-methoxyethylsulfonyl(methyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methoxyethylsulfonyl(methyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methoxyethylsulfonyl(methyl)amino]propanimidamide is COCCS(=O)(=O)N(C)CCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[2-methoxyethylsulfonyl(methyl)amino]propanimidamide?
The InChIKey is LTKMYBZSPVSDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O4S/c1-10(4-3-7(8)9-11)15(12,13)6-5-14-2/h11H,3-6H2,1-2H3,(H2,8,9).
What are the key properties of N'-hydroxy-3-[2-methoxyethylsulfonyl(methyl)amino]propanimidamide?
N'-hydroxy-3-[2-methoxyethylsulfonyl(methyl)amino]propanimidamide has a molecular weight of 239.30 g/mol, XLogP of -0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methoxyethylsulfonyl(methyl)amino]propanimidamide is sourced from PubChem (CID 76912704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).