N'-hydroxy-3-[methyl(oxan-4-ylsulfonyl)amino]butanimidamide

C10H21N3O4S — CID 63224048

IUPACN'-hydroxy-3-[methyl(oxan-4-ylsulfonyl)amino]butanimidamide
SMILESCC(C/C(N)=N/O)N(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H21N3O4S/c1-8(7-10(11)12-14)13(2)18(15,16)9-3-5-17-6-4-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyDWUYBMYVZCFSQZ-UHFFFAOYSA-N
MW279.36 g/mol
LogP-0.05
Rot. Bonds5

About N'-hydroxy-3-[methyl(oxan-4-ylsulfonyl)amino]butanimidamide

N'-hydroxy-3-[methyl(oxan-4-ylsulfonyl)amino]butanimidamide (PubChem CID 63224048) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(oxan-4-ylsulfonyl)amino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(oxan-4-ylsulfonyl)amino]butanimidamide
PubChem CID63224048
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC NameN'-hydroxy-3-[methyl(oxan-4-ylsulfonyl)amino]butanimidamide
SMILESCC(C/C(N)=N/O)N(C)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H21N3O4S/c1-8(7-10(11)12-14)13(2)18(15,16)9-3-5-17-6-4-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyDWUYBMYVZCFSQZ-UHFFFAOYSA-N
XLogP-0.05
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N'-hydroxy-3-[methyl(oxan-4-ylsulfonyl)amino]butanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl(oxan-4-ylsulfonyl)amino]butanimidamide (CID 63224048) is N'-hydroxy-3-[methyl(oxan-4-ylsulfonyl)amino]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(oxan-4-ylsulfonyl)amino]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(oxan-4-ylsulfonyl)amino]butanimidamide is CC(C/C(N)=N/O)N(C)S(=O)(=O)C1CCOCC1.
What is the InChIKey of N'-hydroxy-3-[methyl(oxan-4-ylsulfonyl)amino]butanimidamide?
The InChIKey is DWUYBMYVZCFSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c1-8(7-10(11)12-14)13(2)18(15,16)9-3-5-17-6-4-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-[methyl(oxan-4-ylsulfonyl)amino]butanimidamide?
N'-hydroxy-3-[methyl(oxan-4-ylsulfonyl)amino]butanimidamide has a molecular weight of 279.36 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(oxan-4-ylsulfonyl)amino]butanimidamide is sourced from PubChem (CID 63224048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).