methyl 3-(oxan-4-ylsulfonylamino)thiophene-2-carboxylate

C11H15NO5S2 — CID 62047916

IUPACmethyl 3-(oxan-4-ylsulfonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H15NO5S2/c1-16-11(13)10-9(4-7-18-10)12-19(14,15)8-2-5-17-6-3-8/h4,7-8,12H,2-3,5-6H2,1H3
InChIKeyQWELMEOBTPUVTB-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.46
Rot. Bonds4

About methyl 3-(oxan-4-ylsulfonylamino)thiophene-2-carboxylate

methyl 3-(oxan-4-ylsulfonylamino)thiophene-2-carboxylate (PubChem CID 62047916) has the molecular formula C11H15NO5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl 3-(oxan-4-ylsulfonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(oxan-4-ylsulfonylamino)thiophene-2-carboxylate
PubChem CID62047916
Molecular FormulaC11H15NO5S2
Molecular Weight305.38 g/mol
Exact Mass305.04
IUPAC Namemethyl 3-(oxan-4-ylsulfonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C11H15NO5S2/c1-16-11(13)10-9(4-7-18-10)12-19(14,15)8-2-5-17-6-3-8/h4,7-8,12H,2-3,5-6H2,1H3
InChIKeyQWELMEOBTPUVTB-UHFFFAOYSA-N
XLogP1.46
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-methyl-2-(oxan-4-ylsulfonylamino)benzoate
CID 62047918
methyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate
CID 55174697
methyl 3-(pyrrolidin-1-ylsulfonylamino)thiophene-2-carboxylate
CID 43624381
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]thiophene-2-carboxylate
CID 43408259
methyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate
CID 55014356
methyl 3-[(4-methoxyphenyl)sulfonylamino]thiophene-2-carboxylate
CID 868244
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603
methyl 3-[(3,5-dimethylphenyl)sulfonylamino]thiophene-2-carboxylate
CID 60675264
methyl 3-(propylsulfamoylamino)thiophene-2-carboxylate
CID 114811453
methyl 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate
CID 93038584

Frequently Asked Questions

What is the IUPAC name of methyl 3-(oxan-4-ylsulfonylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(oxan-4-ylsulfonylamino)thiophene-2-carboxylate (CID 62047916) is methyl 3-(oxan-4-ylsulfonylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(oxan-4-ylsulfonylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(oxan-4-ylsulfonylamino)thiophene-2-carboxylate is COC(=O)c1sccc1NS(=O)(=O)C1CCOCC1.
What is the InChIKey of methyl 3-(oxan-4-ylsulfonylamino)thiophene-2-carboxylate?
The InChIKey is QWELMEOBTPUVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S2/c1-16-11(13)10-9(4-7-18-10)12-19(14,15)8-2-5-17-6-3-8/h4,7-8,12H,2-3,5-6H2,1H3.
What are the key properties of methyl 3-(oxan-4-ylsulfonylamino)thiophene-2-carboxylate?
methyl 3-(oxan-4-ylsulfonylamino)thiophene-2-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(oxan-4-ylsulfonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 62047916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).