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

C8H20N4O3S — CID 104978271

IUPAC2-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide
SMILESCCC(NS(=O)(=O)NC(C)(C)C)C(N)=NO
InChIInChI=1S/C8H20N4O3S/c1-5-6(7(9)10-13)11-16(14,15)12-8(2,3)4/h6,11-13H,5H2,1-4H3,(H2,9,10)
InChIKeyVVYRKCVFMPUOKE-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.27
Rot. Bonds5

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

2-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide (PubChem CID 104978271) has the molecular formula C8H20N4O3S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide
PubChem CID104978271
Molecular FormulaC8H20N4O3S
Molecular Weight252.34 g/mol
Exact Mass252.13
IUPAC Name2-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide
SMILESCCC(NS(=O)(=O)NC(C)(C)C)C(N)=NO
InChIInChI=1S/C8H20N4O3S/c1-5-6(7(9)10-13)11-16(14,15)12-8(2,3)4/h6,11-13H,5H2,1-4H3,(H2,9,10)
InChIKeyVVYRKCVFMPUOKE-UHFFFAOYSA-N
XLogP-0.27
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.27
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

N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanimidamide
CID 54947205
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
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453639
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 61453640
N'-hydroxy-2-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 61453675
N'-hydroxy-2-[methyl-[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 76928171
3-(diethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 76934598
3-(dimethylsulfamoylamino)-N'-hydroxybutanimidamide
CID 76934632
N'-hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 76934729
N'-hydroxy-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanimidamide
CID 76953165
N'-hydroxy-2-methyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 76953301

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide (CID 104978271) is 2-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide is CCC(NS(=O)(=O)NC(C)(C)C)C(N)=NO.
What is the InChIKey of 2-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide?
The InChIKey is VVYRKCVFMPUOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O3S/c1-5-6(7(9)10-13)11-16(14,15)12-8(2,3)4/h6,11-13H,5H2,1-4H3,(H2,9,10).
What are the key properties of 2-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide?
2-(tert-butylsulfamoylamino)-N'-hydroxybutanimidamide has a molecular weight of 252.34 g/mol, XLogP of -0.27, 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'-hydroxybutanimidamide is sourced from PubChem (CID 104978271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).