3-(3,3-dimethylbutylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide

C11H25N3O3S — CID 103521667

IUPAC3-(3,3-dimethylbutylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
SMILESCC(C)(C)CCS(=O)(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O3S/c1-10(2,3)6-7-18(16,17)13-8-11(4,5)9(12)14-15/h13,15H,6-8H2,1-5H3,(H2,12,14)
InChIKeyWZOYJBSKFPECRX-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.11
Rot. Bonds6

About 3-(3,3-dimethylbutylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide

3-(3,3-dimethylbutylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide (PubChem CID 103521667) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-(3,3-dimethylbutylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide.

Molecular Properties

Compound Name3-(3,3-dimethylbutylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
PubChem CID103521667
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC Name3-(3,3-dimethylbutylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide
SMILESCC(C)(C)CCS(=O)(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C11H25N3O3S/c1-10(2,3)6-7-18(16,17)13-8-11(4,5)9(12)14-15/h13,15H,6-8H2,1-5H3,(H2,12,14)
InChIKeyWZOYJBSKFPECRX-UHFFFAOYSA-N
XLogP1.11
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.11
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 3-(3,3-dimethylbutylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
The IUPAC name of 3-(3,3-dimethylbutylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide (CID 103521667) is 3-(3,3-dimethylbutylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide.
What is the SMILES notation for 3-(3,3-dimethylbutylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
The canonical SMILES for 3-(3,3-dimethylbutylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide is CC(C)(C)CCS(=O)(=O)NCC(C)(C)C(N)=NO.
What is the InChIKey of 3-(3,3-dimethylbutylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
The InChIKey is WZOYJBSKFPECRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-10(2,3)6-7-18(16,17)13-8-11(4,5)9(12)14-15/h13,15H,6-8H2,1-5H3,(H2,12,14).
What are the key properties of 3-(3,3-dimethylbutylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide?
3-(3,3-dimethylbutylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide has a molecular weight of 279.41 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutylsulfonylamino)-N'-hydroxy-2,2-dimethylpropanimidamide is sourced from PubChem (CID 103521667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).