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

C7H10N2O3S2 — CID 89290734

IUPACN-hydroxy-N'-methyl-2-thiophen-2-ylsulfonylethanimidamide
SMILESC/N=C(/CS(=O)(=O)c1cccs1)NO
InChIInChI=1S/C7H10N2O3S2/c1-8-6(9-10)5-14(11,12)7-3-2-4-13-7/h2-4,10H,5H2,1H3,(H,8,9)
InChIKeyDKJWBOQNVPHFLR-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.53
Rot. Bonds3

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

N-hydroxy-N'-methyl-2-thiophen-2-ylsulfonylethanimidamide (PubChem CID 89290734) has the molecular formula C7H10N2O3S2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-hydroxy-N'-methyl-2-thiophen-2-ylsulfonylethanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-methyl-2-thiophen-2-ylsulfonylethanimidamide
PubChem CID89290734
Molecular FormulaC7H10N2O3S2
Molecular Weight234.30 g/mol
Exact Mass234.01
IUPAC NameN-hydroxy-N'-methyl-2-thiophen-2-ylsulfonylethanimidamide
SMILESC/N=C(/CS(=O)(=O)c1cccs1)NO
InChIInChI=1S/C7H10N2O3S2/c1-8-6(9-10)5-14(11,12)7-3-2-4-13-7/h2-4,10H,5H2,1H3,(H,8,9)
InChIKeyDKJWBOQNVPHFLR-UHFFFAOYSA-N
XLogP0.53
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxythiophene-2-sulfonohydrazide
CID 67151955
N-(4-aminophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43443995
1-cyclopentyl-2-thiophen-2-ylsulfonylethanone
CID 104756093
ethane;thiophene-2-sulfonyl chloride
CID 91564390
methyl thiophene-2-sulfonate
CID 56986285
1-(3-bromo-4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanone
CID 64642162
1-(1,3-dihydroisoindol-2-yl)-2-thiophen-2-ylsulfonylethanone
CID 166512178
methanol;thiophene-2-sulfonamide
CID 157397427
2-thiophen-2-ylsulfonylsulfonylthiophene
CID 141485126
2-thiophen-2-ylsulfonylethanesulfonyl chloride
CID 12513886
N-(3-aminophenyl)-2-thiophen-2-ylsulfonylacetamide
CID 43444010
N-(2,5-dimethoxyphenyl)-2-thiophen-2-ylsulfonylacetamide
CID 42100169

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-methyl-2-thiophen-2-ylsulfonylethanimidamide?
The IUPAC name of N-hydroxy-N'-methyl-2-thiophen-2-ylsulfonylethanimidamide (CID 89290734) is N-hydroxy-N'-methyl-2-thiophen-2-ylsulfonylethanimidamide.
What is the SMILES notation for N-hydroxy-N'-methyl-2-thiophen-2-ylsulfonylethanimidamide?
The canonical SMILES for N-hydroxy-N'-methyl-2-thiophen-2-ylsulfonylethanimidamide is C/N=C(/CS(=O)(=O)c1cccs1)NO.
What is the InChIKey of N-hydroxy-N'-methyl-2-thiophen-2-ylsulfonylethanimidamide?
The InChIKey is DKJWBOQNVPHFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S2/c1-8-6(9-10)5-14(11,12)7-3-2-4-13-7/h2-4,10H,5H2,1H3,(H,8,9).
What are the key properties of N-hydroxy-N'-methyl-2-thiophen-2-ylsulfonylethanimidamide?
N-hydroxy-N'-methyl-2-thiophen-2-ylsulfonylethanimidamide has a molecular weight of 234.30 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-methyl-2-thiophen-2-ylsulfonylethanimidamide is sourced from PubChem (CID 89290734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).