N'-hydroxy-2-thiophen-2-ylsulfonylethanimidamide

C6H8N2O3S2 — CID 2778630

IUPACN'-hydroxy-2-thiophen-2-ylsulfonylethanimidamide
SMILESNC(CS(=O)(=O)c1cccs1)=NO
InChIInChI=1S/C6H8N2O3S2/c7-5(8-9)4-13(10,11)6-2-1-3-12-6/h1-3,9H,4H2,(H2,7,8)
InChIKeyMSZDATJNTZYAQL-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.27
Rot. Bonds3

About N'-hydroxy-2-thiophen-2-ylsulfonylethanimidamide

N'-hydroxy-2-thiophen-2-ylsulfonylethanimidamide (PubChem CID 2778630) has the molecular formula C6H8N2O3S2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N'-hydroxy-2-thiophen-2-ylsulfonylethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-thiophen-2-ylsulfonylethanimidamide
PubChem CID2778630
Molecular FormulaC6H8N2O3S2
Molecular Weight220.27 g/mol
Exact Mass220.00
IUPAC NameN'-hydroxy-2-thiophen-2-ylsulfonylethanimidamide
SMILESNC(CS(=O)(=O)c1cccs1)=NO
InChIInChI=1S/C6H8N2O3S2/c7-5(8-9)4-13(10,11)6-2-1-3-12-6/h1-3,9H,4H2,(H2,7,8)
InChIKeyMSZDATJNTZYAQL-UHFFFAOYSA-N
XLogP0.27
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.27
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-2-thiophen-2-ylsulfonylethanimidamide?
The IUPAC name of N'-hydroxy-2-thiophen-2-ylsulfonylethanimidamide (CID 2778630) is N'-hydroxy-2-thiophen-2-ylsulfonylethanimidamide.
What is the SMILES notation for N'-hydroxy-2-thiophen-2-ylsulfonylethanimidamide?
The canonical SMILES for N'-hydroxy-2-thiophen-2-ylsulfonylethanimidamide is NC(CS(=O)(=O)c1cccs1)=NO.
What is the InChIKey of N'-hydroxy-2-thiophen-2-ylsulfonylethanimidamide?
The InChIKey is MSZDATJNTZYAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S2/c7-5(8-9)4-13(10,11)6-2-1-3-12-6/h1-3,9H,4H2,(H2,7,8).
What are the key properties of N'-hydroxy-2-thiophen-2-ylsulfonylethanimidamide?
N'-hydroxy-2-thiophen-2-ylsulfonylethanimidamide has a molecular weight of 220.27 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-thiophen-2-ylsulfonylethanimidamide is sourced from PubChem (CID 2778630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).