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

C8H19N3O6S2 — CID 82843075

IUPACN'-hydroxy-3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide
SMILESCOCCN(CCC(N)=NO)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C8H19N3O6S2/c1-17-6-5-11(4-3-8(9)10-12)19(15,16)7-18(2,13)14/h12H,3-7H2,1-2H3,(H2,9,10)
InChIKeyQORZTWJLSYPYLH-UHFFFAOYSA-N
MW317.39 g/mol
LogP-1.60
Rot. Bonds9

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

N'-hydroxy-3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide (PubChem CID 82843075) has the molecular formula C8H19N3O6S2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide
PubChem CID82843075
Molecular FormulaC8H19N3O6S2
Molecular Weight317.39 g/mol
Exact Mass317.07
IUPAC NameN'-hydroxy-3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide
SMILESCOCCN(CCC(N)=NO)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C8H19N3O6S2/c1-17-6-5-11(4-3-8(9)10-12)19(15,16)7-18(2,13)14/h12H,3-7H2,1-2H3,(H2,9,10)
InChIKeyQORZTWJLSYPYLH-UHFFFAOYSA-N
XLogP-1.60
TPSA139.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 5-1.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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(methylsulfonylmethylsulfonyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide (CID 82843075) is N'-hydroxy-3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide is COCCN(CCC(N)=NO)S(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of N'-hydroxy-3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide?
The InChIKey is QORZTWJLSYPYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O6S2/c1-17-6-5-11(4-3-8(9)10-12)19(15,16)7-18(2,13)14/h12H,3-7H2,1-2H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide?
N'-hydroxy-3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide has a molecular weight of 317.39 g/mol, XLogP of -1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methoxyethyl(methylsulfonylmethylsulfonyl)amino]propanimidamide is sourced from PubChem (CID 82843075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).