2-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxyethanimidamide

C7H15N3O3S — CID 43410634

IUPAC2-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxyethanimidamide
SMILESCN(C/C(N)=N/O)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H15N3O3S/c1-10(4-7(8)9-11)6-2-3-14(12,13)5-6/h6,11H,2-5H2,1H3,(H2,8,9)
InChIKeyUETDWJCHXLFYSX-UHFFFAOYSA-N
MW221.28 g/mol
LogP-1.15
Rot. Bonds3

About 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxyethanimidamide

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxyethanimidamide (PubChem CID 43410634) has the molecular formula C7H15N3O3S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxyethanimidamide
PubChem CID43410634
Molecular FormulaC7H15N3O3S
Molecular Weight221.28 g/mol
Exact Mass221.08
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxyethanimidamide
SMILESCN(C/C(N)=N/O)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H15N3O3S/c1-10(4-7(8)9-11)6-2-3-14(12,13)5-6/h6,11H,2-5H2,1H3,(H2,8,9)
InChIKeyUETDWJCHXLFYSX-UHFFFAOYSA-N
XLogP-1.15
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-1.15
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 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxyethanimidamide (CID 43410634) is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxyethanimidamide is CN(C/C(N)=N/O)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxyethanimidamide?
The InChIKey is UETDWJCHXLFYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3S/c1-10(4-7(8)9-11)6-2-3-14(12,13)5-6/h6,11H,2-5H2,1H3,(H2,8,9).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxyethanimidamide?
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxyethanimidamide has a molecular weight of 221.28 g/mol, XLogP of -1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 43410634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).