N'-hydroxy-4-(2-methylsulfonylethylsulfonylamino)butanimidamide

C7H17N3O5S2 — CID 63243149

IUPACN'-hydroxy-4-(2-methylsulfonylethylsulfonylamino)butanimidamide
SMILESCS(=O)(=O)CCS(=O)(=O)NCCC/C(N)=N/O
InChIInChI=1S/C7H17N3O5S2/c1-16(12,13)5-6-17(14,15)9-4-2-3-7(8)10-11/h9,11H,2-6H2,1H3,(H2,8,10)
InChIKeyYDHVCCGPQWPQIO-UHFFFAOYSA-N
MW287.36 g/mol
LogP-1.52
Rot. Bonds8

About N'-hydroxy-4-(2-methylsulfonylethylsulfonylamino)butanimidamide

N'-hydroxy-4-(2-methylsulfonylethylsulfonylamino)butanimidamide (PubChem CID 63243149) has the molecular formula C7H17N3O5S2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N'-hydroxy-4-(2-methylsulfonylethylsulfonylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(2-methylsulfonylethylsulfonylamino)butanimidamide
PubChem CID63243149
Molecular FormulaC7H17N3O5S2
Molecular Weight287.36 g/mol
Exact Mass287.06
IUPAC NameN'-hydroxy-4-(2-methylsulfonylethylsulfonylamino)butanimidamide
SMILESCS(=O)(=O)CCS(=O)(=O)NCCC/C(N)=N/O
InChIInChI=1S/C7H17N3O5S2/c1-16(12,13)5-6-17(14,15)9-4-2-3-7(8)10-11/h9,11H,2-6H2,1H3,(H2,8,10)
InChIKeyYDHVCCGPQWPQIO-UHFFFAOYSA-N
XLogP-1.52
TPSA138.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(2-methylsulfonylethylsulfonylamino)butanimidamide?
The IUPAC name of N'-hydroxy-4-(2-methylsulfonylethylsulfonylamino)butanimidamide (CID 63243149) is N'-hydroxy-4-(2-methylsulfonylethylsulfonylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(2-methylsulfonylethylsulfonylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(2-methylsulfonylethylsulfonylamino)butanimidamide is CS(=O)(=O)CCS(=O)(=O)NCCC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-4-(2-methylsulfonylethylsulfonylamino)butanimidamide?
The InChIKey is YDHVCCGPQWPQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O5S2/c1-16(12,13)5-6-17(14,15)9-4-2-3-7(8)10-11/h9,11H,2-6H2,1H3,(H2,8,10).
What are the key properties of N'-hydroxy-4-(2-methylsulfonylethylsulfonylamino)butanimidamide?
N'-hydroxy-4-(2-methylsulfonylethylsulfonylamino)butanimidamide has a molecular weight of 287.36 g/mol, XLogP of -1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(2-methylsulfonylethylsulfonylamino)butanimidamide is sourced from PubChem (CID 63243149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).