2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide

C9H22N4O3S — CID 104978343

IUPAC2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide
SMILESCCC(C)(NS(=O)(=O)NC(C)(C)C)C(N)=NO
InChIInChI=1S/C9H22N4O3S/c1-6-9(5,7(10)11-14)13-17(15,16)12-8(2,3)4/h12-14H,6H2,1-5H3,(H2,10,11)
InChIKeyZMECSEMSAOLMPZ-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.12
Rot. Bonds5

About 2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide

2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide (PubChem CID 104978343) has the molecular formula C9H22N4O3S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide
PubChem CID104978343
Molecular FormulaC9H22N4O3S
Molecular Weight266.37 g/mol
Exact Mass266.14
IUPAC Name2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide
SMILESCCC(C)(NS(=O)(=O)NC(C)(C)C)C(N)=NO
InChIInChI=1S/C9H22N4O3S/c1-6-9(5,7(10)11-14)13-17(15,16)12-8(2,3)4/h12-14H,6H2,1-5H3,(H2,10,11)
InChIKeyZMECSEMSAOLMPZ-UHFFFAOYSA-N
XLogP0.12
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.12
H-Bond Donors ≤ 54
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-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 54947254
N'-hydroxy-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 54947256
2-(tert-butylsulfonylamino)-N'-hydroxy-2-methylbutanimidamide
CID 77017138
2-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978271
2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide
CID 104978282
2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide
CID 104978283
2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978285
2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide
CID 104978286
N'-hydroxy-2-methyl-2-(methylsulfamoylamino)propanimidamide
CID 104978288
2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 104978289
N'-hydroxy-2-methyl-2-(propylsulfamoylamino)propanimidamide
CID 104978290
2-(ethylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 104978291

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide?
The IUPAC name of 2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide (CID 104978343) is 2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide?
The canonical SMILES for 2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide is CCC(C)(NS(=O)(=O)NC(C)(C)C)C(N)=NO.
What is the InChIKey of 2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide?
The InChIKey is ZMECSEMSAOLMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O3S/c1-6-9(5,7(10)11-14)13-17(15,16)12-8(2,3)4/h12-14H,6H2,1-5H3,(H2,10,11).
What are the key properties of 2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide?
2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide has a molecular weight of 266.37 g/mol, XLogP of 0.12, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide is sourced from PubChem (CID 104978343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).