3-[ethyl(2-methoxyethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide

C9H21N3O4S — CID 55014593

IUPAC3-[ethyl(2-methoxyethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)/C(N)=N/O)S(=O)(=O)CCOC
InChIInChI=1S/C9H21N3O4S/c1-4-12(7-8(2)9(10)11-13)17(14,15)6-5-16-3/h8,13H,4-7H2,1-3H3,(H2,10,11)
InChIKeyPFGPZBFEXWTLHK-UHFFFAOYSA-N
MW267.35 g/mol
LogP-0.33
Rot. Bonds8

About 3-[ethyl(2-methoxyethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide

3-[ethyl(2-methoxyethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 55014593) has the molecular formula C9H21N3O4S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-[ethyl(2-methoxyethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(2-methoxyethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID55014593
Molecular FormulaC9H21N3O4S
Molecular Weight267.35 g/mol
Exact Mass267.13
IUPAC Name3-[ethyl(2-methoxyethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC(C)/C(N)=N/O)S(=O)(=O)CCOC
InChIInChI=1S/C9H21N3O4S/c1-4-12(7-8(2)9(10)11-13)17(14,15)6-5-16-3/h8,13H,4-7H2,1-3H3,(H2,10,11)
InChIKeyPFGPZBFEXWTLHK-UHFFFAOYSA-N
XLogP-0.33
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-[ethyl(2-methoxyethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(2-methoxyethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide (CID 55014593) is 3-[ethyl(2-methoxyethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(2-methoxyethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(2-methoxyethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide is CCN(CC(C)/C(N)=N/O)S(=O)(=O)CCOC.
What is the InChIKey of 3-[ethyl(2-methoxyethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is PFGPZBFEXWTLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4S/c1-4-12(7-8(2)9(10)11-13)17(14,15)6-5-16-3/h8,13H,4-7H2,1-3H3,(H2,10,11).
What are the key properties of 3-[ethyl(2-methoxyethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide?
3-[ethyl(2-methoxyethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 267.35 g/mol, XLogP of -0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methoxyethylsulfonyl)amino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 55014593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).