N'-hydroxy-2-[2-[2-(methanesulfonamido)ethylamino]ethoxy]propanimidamide

C8H20N4O4S — CID 114266318

IUPACN'-hydroxy-2-[2-[2-(methanesulfonamido)ethylamino]ethoxy]propanimidamide
SMILESCC(OCCNCCNS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C8H20N4O4S/c1-7(8(9)12-13)16-6-5-10-3-4-11-17(2,14)15/h7,10-11,13H,3-6H2,1-2H3,(H2,9,12)
InChIKeyKOSZMYFSZUHICQ-UHFFFAOYSA-N
MW268.34 g/mol
LogP-1.72
Rot. Bonds9

About N'-hydroxy-2-[2-[2-(methanesulfonamido)ethylamino]ethoxy]propanimidamide

N'-hydroxy-2-[2-[2-(methanesulfonamido)ethylamino]ethoxy]propanimidamide (PubChem CID 114266318) has the molecular formula C8H20N4O4S and a molecular weight of 268.34 g/mol. Its IUPAC name is N'-hydroxy-2-[2-[2-(methanesulfonamido)ethylamino]ethoxy]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-[2-(methanesulfonamido)ethylamino]ethoxy]propanimidamide
PubChem CID114266318
Molecular FormulaC8H20N4O4S
Molecular Weight268.34 g/mol
Exact Mass268.12
IUPAC NameN'-hydroxy-2-[2-[2-(methanesulfonamido)ethylamino]ethoxy]propanimidamide
SMILESCC(OCCNCCNS(C)(=O)=O)C(N)=NO
InChIInChI=1S/C8H20N4O4S/c1-7(8(9)12-13)16-6-5-10-3-4-11-17(2,14)15/h7,10-11,13H,3-6H2,1-2H3,(H2,9,12)
InChIKeyKOSZMYFSZUHICQ-UHFFFAOYSA-N
XLogP-1.72
TPSA126.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 5-1.72
H-Bond Donors ≤ 54
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-2-[2-[2-(methanesulfonamido)ethylamino]ethoxy]propanimidamide?
The IUPAC name of N'-hydroxy-2-[2-[2-(methanesulfonamido)ethylamino]ethoxy]propanimidamide (CID 114266318) is N'-hydroxy-2-[2-[2-(methanesulfonamido)ethylamino]ethoxy]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-[2-(methanesulfonamido)ethylamino]ethoxy]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-[2-(methanesulfonamido)ethylamino]ethoxy]propanimidamide is CC(OCCNCCNS(C)(=O)=O)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[2-[2-(methanesulfonamido)ethylamino]ethoxy]propanimidamide?
The InChIKey is KOSZMYFSZUHICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O4S/c1-7(8(9)12-13)16-6-5-10-3-4-11-17(2,14)15/h7,10-11,13H,3-6H2,1-2H3,(H2,9,12).
What are the key properties of N'-hydroxy-2-[2-[2-(methanesulfonamido)ethylamino]ethoxy]propanimidamide?
N'-hydroxy-2-[2-[2-(methanesulfonamido)ethylamino]ethoxy]propanimidamide has a molecular weight of 268.34 g/mol, XLogP of -1.72, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-[2-(methanesulfonamido)ethylamino]ethoxy]propanimidamide is sourced from PubChem (CID 114266318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).