2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide

C8H20N4O3S — CID 76928839

IUPAC2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC)S(=O)(=O)N(CC)CC(N)=NO
InChIInChI=1S/C8H20N4O3S/c1-4-11(5-2)16(14,15)12(6-3)7-8(9)10-13/h13H,4-7H2,1-3H3,(H2,9,10)
InChIKeyINDRDYYUFDMBCB-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.36
Rot. Bonds7

About 2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide

2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide (PubChem CID 76928839) has the molecular formula C8H20N4O3S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide
PubChem CID76928839
Molecular FormulaC8H20N4O3S
Molecular Weight252.34 g/mol
Exact Mass252.13
IUPAC Name2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide
SMILESCCN(CC)S(=O)(=O)N(CC)CC(N)=NO
InChIInChI=1S/C8H20N4O3S/c1-4-11(5-2)16(14,15)12(6-3)7-8(9)10-13/h13H,4-7H2,1-3H3,(H2,9,10)
InChIKeyINDRDYYUFDMBCB-UHFFFAOYSA-N
XLogP-0.36
TPSA99.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

2-[ethyl(methylsulfonyl)amino]-N'-hydroxyethanimidamide
CID 76929222
2-[ethyl(methylsulfamoyl)amino]-N'-hydroxyethanimidamide
CID 104978391
2-[ethyl(pyrrolidin-1-ylsulfonyl)amino]-N'-hydroxyethanimidamide
CID 76928932
2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 105361603
3-[diethylsulfamoyl(methyl)amino]-N'-hydroxybutanimidamide
CID 76987881
3-[dimethylsulfamoyl(ethyl)amino]-N'-hydroxypropanimidamide
CID 76910450
2-[2,2-dimethylpropylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 77045063
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 76929421
2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid
CID 3615000
2-[dimethylsulfamoyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77044627
2-[cyclopropylmethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 77052461
N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide
CID 104978790

Frequently Asked Questions

What is the IUPAC name of 2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide (CID 76928839) is 2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide is CCN(CC)S(=O)(=O)N(CC)CC(N)=NO.
What is the InChIKey of 2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is INDRDYYUFDMBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O3S/c1-4-11(5-2)16(14,15)12(6-3)7-8(9)10-13/h13H,4-7H2,1-3H3,(H2,9,10).
What are the key properties of 2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide?
2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 252.34 g/mol, XLogP of -0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76928839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).