3-(diethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide

C8H20N4O3S — CID 76953317

IUPAC3-(diethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC)S(=O)(=O)NCC(C)C(N)=NO
InChIInChI=1S/C8H20N4O3S/c1-4-12(5-2)16(14,15)10-6-7(3)8(9)11-13/h7,10,13H,4-6H2,1-3H3,(H2,9,11)
InChIKeyFYTAFPULKIRXFK-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.45
Rot. Bonds7

About 3-(diethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide

3-(diethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76953317) has the molecular formula C8H20N4O3S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-(diethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(diethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
PubChem CID76953317
Molecular FormulaC8H20N4O3S
Molecular Weight252.34 g/mol
Exact Mass252.13
IUPAC Name3-(diethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCCN(CC)S(=O)(=O)NCC(C)C(N)=NO
InChIInChI=1S/C8H20N4O3S/c1-4-12(5-2)16(14,15)10-6-7(3)8(9)11-13/h7,10,13H,4-6H2,1-3H3,(H2,9,11)
InChIKeyFYTAFPULKIRXFK-UHFFFAOYSA-N
XLogP-0.45
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(diethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide (CID 76953317) is 3-(diethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(diethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(diethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide is CCN(CC)S(=O)(=O)NCC(C)C(N)=NO.
What is the InChIKey of 3-(diethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is FYTAFPULKIRXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O3S/c1-4-12(5-2)16(14,15)10-6-7(3)8(9)11-13/h7,10,13H,4-6H2,1-3H3,(H2,9,11).
What are the key properties of 3-(diethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide?
3-(diethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 252.34 g/mol, XLogP of -0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76953317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).