3-[2-ethoxyethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide

C9H21N3O4S — CID 63246860

IUPAC3-[2-ethoxyethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide
SMILESCCOCCS(=O)(=O)N(CC)CC/C(N)=N/O
InChIInChI=1S/C9H21N3O4S/c1-3-12(6-5-9(10)11-13)17(14,15)8-7-16-4-2/h13H,3-8H2,1-2H3,(H2,10,11)
InChIKeyHZZXBBCJALFPHK-UHFFFAOYSA-N
MW267.35 g/mol
LogP-0.19
Rot. Bonds9

About 3-[2-ethoxyethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide

3-[2-ethoxyethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 63246860) has the molecular formula C9H21N3O4S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-[2-ethoxyethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[2-ethoxyethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide
PubChem CID63246860
Molecular FormulaC9H21N3O4S
Molecular Weight267.35 g/mol
Exact Mass267.13
IUPAC Name3-[2-ethoxyethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide
SMILESCCOCCS(=O)(=O)N(CC)CC/C(N)=N/O
InChIInChI=1S/C9H21N3O4S/c1-3-12(6-5-9(10)11-13)17(14,15)8-7-16-4-2/h13H,3-8H2,1-2H3,(H2,10,11)
InChIKeyHZZXBBCJALFPHK-UHFFFAOYSA-N
XLogP-0.19
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
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 3-[2-ethoxyethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[2-ethoxyethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide (CID 63246860) is 3-[2-ethoxyethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[2-ethoxyethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[2-ethoxyethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide is CCOCCS(=O)(=O)N(CC)CC/C(N)=N/O.
What is the InChIKey of 3-[2-ethoxyethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is HZZXBBCJALFPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4S/c1-3-12(6-5-9(10)11-13)17(14,15)8-7-16-4-2/h13H,3-8H2,1-2H3,(H2,10,11).
What are the key properties of 3-[2-ethoxyethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide?
3-[2-ethoxyethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 267.35 g/mol, XLogP of -0.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethylsulfonyl(ethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 63246860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).