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

C9H22N4O3S — CID 77038489

IUPAC2-(diethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
SMILESCCN(CC)S(=O)(=O)NC(C(N)=NO)C(C)C
InChIInChI=1S/C9H22N4O3S/c1-5-13(6-2)17(15,16)12-8(7(3)4)9(10)11-14/h7-8,12,14H,5-6H2,1-4H3,(H2,10,11)
InChIKeyLAHZFDFORYYNRJ-UHFFFAOYSA-N
MW266.37 g/mol
LogP-0.07
Rot. Bonds7

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

2-(diethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide (PubChem CID 77038489) has the molecular formula C9H22N4O3S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(diethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide.

Molecular Properties

Compound Name2-(diethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
PubChem CID77038489
Molecular FormulaC9H22N4O3S
Molecular Weight266.37 g/mol
Exact Mass266.14
IUPAC Name2-(diethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide
SMILESCCN(CC)S(=O)(=O)NC(C(N)=NO)C(C)C
InChIInChI=1S/C9H22N4O3S/c1-5-13(6-2)17(15,16)12-8(7(3)4)9(10)11-14/h7-8,12,14H,5-6H2,1-4H3,(H2,10,11)
InChIKeyLAHZFDFORYYNRJ-UHFFFAOYSA-N
XLogP-0.07
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 5-0.07
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 2-(diethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide?
The IUPAC name of 2-(diethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide (CID 77038489) is 2-(diethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide.
What is the SMILES notation for 2-(diethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide?
The canonical SMILES for 2-(diethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide is CCN(CC)S(=O)(=O)NC(C(N)=NO)C(C)C.
What is the InChIKey of 2-(diethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide?
The InChIKey is LAHZFDFORYYNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O3S/c1-5-13(6-2)17(15,16)12-8(7(3)4)9(10)11-14/h7-8,12,14H,5-6H2,1-4H3,(H2,10,11).
What are the key properties of 2-(diethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide?
2-(diethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide has a molecular weight of 266.37 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylsulfamoylamino)-N'-hydroxy-3-methylbutanimidamide is sourced from PubChem (CID 77038489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).