N'-hydroxy-3-(methylsulfonylmethylsulfonylamino)propanimidamide

C5H13N3O5S2 — CID 82842688

IUPACN'-hydroxy-3-(methylsulfonylmethylsulfonylamino)propanimidamide
SMILESCS(=O)(=O)CS(=O)(=O)NCCC(N)=NO
InChIInChI=1S/C5H13N3O5S2/c1-14(10,11)4-15(12,13)7-3-2-5(6)8-9/h7,9H,2-4H2,1H3,(H2,6,8)
InChIKeySINVHDAXUKRXBO-UHFFFAOYSA-N
MW259.31 g/mol
LogP-1.96
Rot. Bonds6

About N'-hydroxy-3-(methylsulfonylmethylsulfonylamino)propanimidamide

N'-hydroxy-3-(methylsulfonylmethylsulfonylamino)propanimidamide (PubChem CID 82842688) has the molecular formula C5H13N3O5S2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N'-hydroxy-3-(methylsulfonylmethylsulfonylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(methylsulfonylmethylsulfonylamino)propanimidamide
PubChem CID82842688
Molecular FormulaC5H13N3O5S2
Molecular Weight259.31 g/mol
Exact Mass259.03
IUPAC NameN'-hydroxy-3-(methylsulfonylmethylsulfonylamino)propanimidamide
SMILESCS(=O)(=O)CS(=O)(=O)NCCC(N)=NO
InChIInChI=1S/C5H13N3O5S2/c1-14(10,11)4-15(12,13)7-3-2-5(6)8-9/h7,9H,2-4H2,1H3,(H2,6,8)
InChIKeySINVHDAXUKRXBO-UHFFFAOYSA-N
XLogP-1.96
TPSA138.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-1.96
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-3-(methylsulfonylmethylsulfonylamino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(methylsulfonylmethylsulfonylamino)propanimidamide (CID 82842688) is N'-hydroxy-3-(methylsulfonylmethylsulfonylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(methylsulfonylmethylsulfonylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(methylsulfonylmethylsulfonylamino)propanimidamide is CS(=O)(=O)CS(=O)(=O)NCCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-(methylsulfonylmethylsulfonylamino)propanimidamide?
The InChIKey is SINVHDAXUKRXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O5S2/c1-14(10,11)4-15(12,13)7-3-2-5(6)8-9/h7,9H,2-4H2,1H3,(H2,6,8).
What are the key properties of N'-hydroxy-3-(methylsulfonylmethylsulfonylamino)propanimidamide?
N'-hydroxy-3-(methylsulfonylmethylsulfonylamino)propanimidamide has a molecular weight of 259.31 g/mol, XLogP of -1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(methylsulfonylmethylsulfonylamino)propanimidamide is sourced from PubChem (CID 82842688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).