2-(2-ethoxyethylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide

C9H21N3O4S — CID 55176238

IUPAC2-(2-ethoxyethylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide
SMILESCCOCCS(=O)(=O)NC(C)(CC)/C(N)=N/O
InChIInChI=1S/C9H21N3O4S/c1-4-9(3,8(10)11-13)12-17(14,15)7-6-16-5-2/h12-13H,4-7H2,1-3H3,(H2,10,11)
InChIKeyAUKSYUNORYCNIX-UHFFFAOYSA-N
MW267.35 g/mol
LogP-0.14
Rot. Bonds8

About 2-(2-ethoxyethylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide

2-(2-ethoxyethylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide (PubChem CID 55176238) has the molecular formula C9H21N3O4S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(2-ethoxyethylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide.

Molecular Properties

Compound Name2-(2-ethoxyethylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide
PubChem CID55176238
Molecular FormulaC9H21N3O4S
Molecular Weight267.35 g/mol
Exact Mass267.13
IUPAC Name2-(2-ethoxyethylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide
SMILESCCOCCS(=O)(=O)NC(C)(CC)/C(N)=N/O
InChIInChI=1S/C9H21N3O4S/c1-4-9(3,8(10)11-13)12-17(14,15)7-6-16-5-2/h12-13H,4-7H2,1-3H3,(H2,10,11)
InChIKeyAUKSYUNORYCNIX-UHFFFAOYSA-N
XLogP-0.14
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-(2-ethoxyethylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide?
The IUPAC name of 2-(2-ethoxyethylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide (CID 55176238) is 2-(2-ethoxyethylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide.
What is the SMILES notation for 2-(2-ethoxyethylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide?
The canonical SMILES for 2-(2-ethoxyethylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide is CCOCCS(=O)(=O)NC(C)(CC)/C(N)=N/O.
What is the InChIKey of 2-(2-ethoxyethylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide?
The InChIKey is AUKSYUNORYCNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4S/c1-4-9(3,8(10)11-13)12-17(14,15)7-6-16-5-2/h12-13H,4-7H2,1-3H3,(H2,10,11).
What are the key properties of 2-(2-ethoxyethylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide?
2-(2-ethoxyethylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide has a molecular weight of 267.35 g/mol, XLogP of -0.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide is sourced from PubChem (CID 55176238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).