3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide

C8H20N4O3S — CID 104978430

IUPAC3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNS(=O)(=O)NC(C)(C)C)C(N)=NO
InChIInChI=1S/C8H20N4O3S/c1-6(7(9)11-13)5-10-16(14,15)12-8(2,3)4/h6,10,12-13H,5H2,1-4H3,(H2,9,11)
InChIKeyVYDYSJIRWDFEQP-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.41
Rot. Bonds5

About 3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide

3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 104978430) has the molecular formula C8H20N4O3S and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
PubChem CID104978430
Molecular FormulaC8H20N4O3S
Molecular Weight252.34 g/mol
Exact Mass252.13
IUPAC Name3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNS(=O)(=O)NC(C)(C)C)C(N)=NO
InChIInChI=1S/C8H20N4O3S/c1-6(7(9)11-13)5-10-16(14,15)12-8(2,3)4/h6,10,12-13H,5H2,1-4H3,(H2,9,11)
InChIKeyVYDYSJIRWDFEQP-UHFFFAOYSA-N
XLogP-0.41
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 ≤ 5-0.41
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

3-(ethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
CID 76952623
1-(tert-butylsulfamoylamino)propan-2-ol
CID 104538434
N-(tert-butylsulfamoyl)-2-methylpropan-1-amine
CID 104538392
1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine
CID 114810886
3-(butylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
CID 76952622
3-(cyclopropylmethylsulfonylamino)-N'-hydroxy-2-methylpropanimidamide
CID 77052471
N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide
CID 76953299
N'-hydroxy-2-methyl-3-[(4-methylphenyl)sulfonylamino]propanimidamide
CID 76953347
1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol
CID 114811352
3-(tert-butylsulfamoylamino)-2-methylpropanenitrile
CID 104538456
tert-butyl N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]carbamate
CID 62667302
3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
CID 55102286

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide (CID 104978430) is 3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide is CC(CNS(=O)(=O)NC(C)(C)C)C(N)=NO.
What is the InChIKey of 3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is VYDYSJIRWDFEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O3S/c1-6(7(9)11-13)5-10-16(14,15)12-8(2,3)4/h6,10,12-13H,5H2,1-4H3,(H2,9,11).
What are the key properties of 3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide?
3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 252.34 g/mol, XLogP of -0.41, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 104978430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).