2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide

C10H24N4O3S — CID 104978283

IUPAC2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide
SMILESCCC(CC)(NS(=O)(=O)NC(C)(C)C)C(N)=NO
InChIInChI=1S/C10H24N4O3S/c1-6-10(7-2,8(11)12-15)14-18(16,17)13-9(3,4)5/h13-15H,6-7H2,1-5H3,(H2,11,12)
InChIKeyLQJFPKYJQZZWRY-UHFFFAOYSA-N
MW280.39 g/mol
LogP0.51
Rot. Bonds6

About 2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide

2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide (PubChem CID 104978283) has the molecular formula C10H24N4O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide
PubChem CID104978283
Molecular FormulaC10H24N4O3S
Molecular Weight280.39 g/mol
Exact Mass280.16
IUPAC Name2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide
SMILESCCC(CC)(NS(=O)(=O)NC(C)(C)C)C(N)=NO
InChIInChI=1S/C10H24N4O3S/c1-6-10(7-2,8(11)12-15)14-18(16,17)13-9(3,4)5/h13-15H,6-7H2,1-5H3,(H2,11,12)
InChIKeyLQJFPKYJQZZWRY-UHFFFAOYSA-N
XLogP0.51
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 50.51
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-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 104978284
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)-2-ethyl-N'-hydroxybutanimidamide
CID 77017208
2-ethyl-N'-hydroxy-2-(methylsulfamoylamino)butanimidamide
CID 104978282
2-ethyl-2-(ethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 104978285
2-ethyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)butanimidamide
CID 104978286
2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 104978289
1-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978314
1-(tert-butylsulfamoylamino)-N'-hydroxycyclohexane-1-carboximidamide
CID 104978319
N'-hydroxy-2-methyl-2-(methylsulfamoylamino)butanimidamide
CID 104978342
2-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylbutanimidamide
CID 104978343

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide?
The IUPAC name of 2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide (CID 104978283) is 2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide is CCC(CC)(NS(=O)(=O)NC(C)(C)C)C(N)=NO.
What is the InChIKey of 2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide?
The InChIKey is LQJFPKYJQZZWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O3S/c1-6-10(7-2,8(11)12-15)14-18(16,17)13-9(3,4)5/h13-15H,6-7H2,1-5H3,(H2,11,12).
What are the key properties of 2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide?
2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide has a molecular weight of 280.39 g/mol, XLogP of 0.51, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoylamino)-2-ethyl-N'-hydroxybutanimidamide is sourced from PubChem (CID 104978283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).