methyl N'-thiophen-2-ylsulfonylcarbamimidate

C6H8N2O3S2 — CID 74002349

IUPACmethyl N'-thiophen-2-ylsulfonylcarbamimidate
SMILESCOC(N)=NS(=O)(=O)c1cccs1
InChIInChI=1S/C6H8N2O3S2/c1-11-6(7)8-13(9,10)5-3-2-4-12-5/h2-4H,1H3,(H2,7,8)
InChIKeyMTUMEHVZFHMVGX-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.40
Rot. Bonds2

About methyl N'-thiophen-2-ylsulfonylcarbamimidate

methyl N'-thiophen-2-ylsulfonylcarbamimidate (PubChem CID 74002349) has the molecular formula C6H8N2O3S2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl N'-thiophen-2-ylsulfonylcarbamimidate.

Molecular Properties

Compound Namemethyl N'-thiophen-2-ylsulfonylcarbamimidate
PubChem CID74002349
Molecular FormulaC6H8N2O3S2
Molecular Weight220.27 g/mol
Exact Mass220.00
IUPAC Namemethyl N'-thiophen-2-ylsulfonylcarbamimidate
SMILESCOC(N)=NS(=O)(=O)c1cccs1
InChIInChI=1S/C6H8N2O3S2/c1-11-6(7)8-13(9,10)5-3-2-4-12-5/h2-4H,1H3,(H2,7,8)
InChIKeyMTUMEHVZFHMVGX-UHFFFAOYSA-N
XLogP0.40
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl N'-thiophen-2-ylsulfonylcarbamimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzhydrylidenethiophene-2-sulfonamide
CID 176730447
N,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 75459336
N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride
CID 3688340
methanol;thiophene-2-sulfonamide
CID 157397427
N-sulfonylthiophene-2-sulfonamide
CID 88522112
N-ethylidenethiophene-2-sulfonamide
CID 141046508
thiophen-2-ylsulfonylurea;urea
CID 19065180
(1E)-2-chloro-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride
CID 18871859
methyl thiophene-2-sulfonate
CID 56986285
N-(4-ethoxyphenyl)-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 6109154
N-[(2-chlorophenyl)-(2-fluorophenyl)methylidene]thiophene-2-sulfonamide
CID 3445264
2-thiophen-2-ylsulfonylsulfonylthiophene
CID 141485126

Frequently Asked Questions

What is the IUPAC name of methyl N'-thiophen-2-ylsulfonylcarbamimidate?
The IUPAC name of methyl N'-thiophen-2-ylsulfonylcarbamimidate (CID 74002349) is methyl N'-thiophen-2-ylsulfonylcarbamimidate.
What is the SMILES notation for methyl N'-thiophen-2-ylsulfonylcarbamimidate?
The canonical SMILES for methyl N'-thiophen-2-ylsulfonylcarbamimidate is COC(N)=NS(=O)(=O)c1cccs1.
What is the InChIKey of methyl N'-thiophen-2-ylsulfonylcarbamimidate?
The InChIKey is MTUMEHVZFHMVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S2/c1-11-6(7)8-13(9,10)5-3-2-4-12-5/h2-4H,1H3,(H2,7,8).
What are the key properties of methyl N'-thiophen-2-ylsulfonylcarbamimidate?
methyl N'-thiophen-2-ylsulfonylcarbamimidate has a molecular weight of 220.27 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-thiophen-2-ylsulfonylcarbamimidate is sourced from PubChem (CID 74002349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).