N'-hydroxy-4-(methylsulfonylmethylsulfonylamino)butanimidamide

C6H15N3O5S2 — CID 82842584

IUPACN'-hydroxy-4-(methylsulfonylmethylsulfonylamino)butanimidamide
SMILESCS(=O)(=O)CS(=O)(=O)NCCCC(N)=NO
InChIInChI=1S/C6H15N3O5S2/c1-15(11,12)5-16(13,14)8-4-2-3-6(7)9-10/h8,10H,2-5H2,1H3,(H2,7,9)
InChIKeyCFFAEWBHZPZLCN-UHFFFAOYSA-N
MW273.34 g/mol
LogP-1.57
Rot. Bonds7

About N'-hydroxy-4-(methylsulfonylmethylsulfonylamino)butanimidamide

N'-hydroxy-4-(methylsulfonylmethylsulfonylamino)butanimidamide (PubChem CID 82842584) has the molecular formula C6H15N3O5S2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N'-hydroxy-4-(methylsulfonylmethylsulfonylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(methylsulfonylmethylsulfonylamino)butanimidamide
PubChem CID82842584
Molecular FormulaC6H15N3O5S2
Molecular Weight273.34 g/mol
Exact Mass273.05
IUPAC NameN'-hydroxy-4-(methylsulfonylmethylsulfonylamino)butanimidamide
SMILESCS(=O)(=O)CS(=O)(=O)NCCCC(N)=NO
InChIInChI=1S/C6H15N3O5S2/c1-15(11,12)5-16(13,14)8-4-2-3-6(7)9-10/h8,10H,2-5H2,1H3,(H2,7,9)
InChIKeyCFFAEWBHZPZLCN-UHFFFAOYSA-N
XLogP-1.57
TPSA138.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 5-1.57
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-(methylsulfonylmethylsulfonylamino)butanimidamide?
The IUPAC name of N'-hydroxy-4-(methylsulfonylmethylsulfonylamino)butanimidamide (CID 82842584) is N'-hydroxy-4-(methylsulfonylmethylsulfonylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(methylsulfonylmethylsulfonylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(methylsulfonylmethylsulfonylamino)butanimidamide is CS(=O)(=O)CS(=O)(=O)NCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-4-(methylsulfonylmethylsulfonylamino)butanimidamide?
The InChIKey is CFFAEWBHZPZLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O5S2/c1-15(11,12)5-16(13,14)8-4-2-3-6(7)9-10/h8,10H,2-5H2,1H3,(H2,7,9).
What are the key properties of N'-hydroxy-4-(methylsulfonylmethylsulfonylamino)butanimidamide?
N'-hydroxy-4-(methylsulfonylmethylsulfonylamino)butanimidamide has a molecular weight of 273.34 g/mol, XLogP of -1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(methylsulfonylmethylsulfonylamino)butanimidamide is sourced from PubChem (CID 82842584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).