2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide

C9H21N3O4S — CID 76988819

IUPAC2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)CCOCC
InChIInChI=1S/C9H21N3O4S/c1-3-5-12(8-9(10)11-13)17(14,15)7-6-16-4-2/h13H,3-8H2,1-2H3,(H2,10,11)
InChIKeyPTCBXFUZCFTAGX-UHFFFAOYSA-N
MW267.35 g/mol
LogP-0.19
Rot. Bonds9

About 2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide

2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide (PubChem CID 76988819) has the molecular formula C9H21N3O4S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
PubChem CID76988819
Molecular FormulaC9H21N3O4S
Molecular Weight267.35 g/mol
Exact Mass267.13
IUPAC Name2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
SMILESCCCN(CC(N)=NO)S(=O)(=O)CCOCC
InChIInChI=1S/C9H21N3O4S/c1-3-5-12(8-9(10)11-13)17(14,15)7-6-16-4-2/h13H,3-8H2,1-2H3,(H2,10,11)
InChIKeyPTCBXFUZCFTAGX-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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Related Compounds

2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 77045063
2-[2-cyclobutylethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 112747021
2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 77052461
2-[benzylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927546
2-[2-ethoxyethylsulfonyl(2-methoxyethyl)amino]acetic acid
CID 63246102
N-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide
CID 77037878
N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide
CID 104978790
2-[benzenesulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927437
N,N-bis(2-ethoxyethyl)ethanesulfonamide
CID 82952267
2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 76928839
2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide
CID 76929222
2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide
CID 79717397

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide (CID 76988819) is 2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide is CCCN(CC(N)=NO)S(=O)(=O)CCOCC.
What is the InChIKey of 2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is PTCBXFUZCFTAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O4S/c1-3-5-12(8-9(10)11-13)17(14,15)7-6-16-4-2/h13H,3-8H2,1-2H3,(H2,10,11).
What are the key properties of 2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide?
2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide 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 2-[2-ethoxyethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76988819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).