N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)butanimidamide

C8H19N3O5S2 — CID 55173694

IUPACN'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)butanimidamide
SMILESCCC(C)(NS(=O)(=O)CCS(C)(=O)=O)/C(N)=N/O
InChIInChI=1S/C8H19N3O5S2/c1-4-8(2,7(9)10-12)11-18(15,16)6-5-17(3,13)14/h11-12H,4-6H2,1-3H3,(H2,9,10)
InChIKeyWDHSZALYPKBZSL-UHFFFAOYSA-N
MW301.39 g/mol
LogP-1.13
Rot. Bonds7

About N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)butanimidamide

N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)butanimidamide (PubChem CID 55173694) has the molecular formula C8H19N3O5S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)butanimidamide
PubChem CID55173694
Molecular FormulaC8H19N3O5S2
Molecular Weight301.39 g/mol
Exact Mass301.08
IUPAC NameN'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)butanimidamide
SMILESCCC(C)(NS(=O)(=O)CCS(C)(=O)=O)/C(N)=N/O
InChIInChI=1S/C8H19N3O5S2/c1-4-8(2,7(9)10-12)11-18(15,16)6-5-17(3,13)14/h11-12H,4-6H2,1-3H3,(H2,9,10)
InChIKeyWDHSZALYPKBZSL-UHFFFAOYSA-N
XLogP-1.13
TPSA138.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-2-methyl-2-(2-methylsulfonylethylsulfonylamino)butanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)butanimidamide (CID 55173694) is N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)butanimidamide is CCC(C)(NS(=O)(=O)CCS(C)(=O)=O)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)butanimidamide?
The InChIKey is WDHSZALYPKBZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O5S2/c1-4-8(2,7(9)10-12)11-18(15,16)6-5-17(3,13)14/h11-12H,4-6H2,1-3H3,(H2,9,10).
What are the key properties of N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)butanimidamide?
N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)butanimidamide has a molecular weight of 301.39 g/mol, XLogP of -1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-2-(2-methylsulfonylethylsulfonylamino)butanimidamide is sourced from PubChem (CID 55173694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).