methyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate

C11H15NO5S2 — CID 55174697

IUPACmethyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H15NO5S2/c1-16-11(13)10-9(4-6-18-10)12-19(14,15)7-8-3-2-5-17-8/h4,6,8,12H,2-3,5,7H2,1H3
InChIKeyXLXFRTOFAIARFT-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.46
Rot. Bonds5

About methyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate

methyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate (PubChem CID 55174697) has the molecular formula C11H15NO5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate
PubChem CID55174697
Molecular FormulaC11H15NO5S2
Molecular Weight305.38 g/mol
Exact Mass305.04
IUPAC Namemethyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NS(=O)(=O)CC1CCCO1
InChIInChI=1S/C11H15NO5S2/c1-16-11(13)10-9(4-6-18-10)12-19(14,15)7-8-3-2-5-17-8/h4,6,8,12H,2-3,5,7H2,1H3
InChIKeyXLXFRTOFAIARFT-UHFFFAOYSA-N
XLogP1.46
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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 3-(oxan-4-ylsulfonylamino)thiophene-2-carboxylate
CID 62047916
methyl 3-(2-methoxyethylsulfonylamino)thiophene-2-carboxylate
CID 55014356
N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247039
methyl 3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]thiophene-2-carboxylate
CID 47537171
methyl 3-methoxy-2-(oxan-2-ylmethylsulfonylamino)benzoate
CID 119034438
N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247176
2-bromo-3-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 154766964
N-(5-cyano-2-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246993
4-chloro-3-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 63246612
3-(oxolan-2-ylmethylsulfonylamino)-4-propan-2-yloxybenzoic acid
CID 138044031
methyl 3-[(1-methylpyrazol-4-yl)sulfonylamino]thiophene-2-carboxylate
CID 43624372
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896

Frequently Asked Questions

What is the IUPAC name of methyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate (CID 55174697) is methyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate is COC(=O)c1sccc1NS(=O)(=O)CC1CCCO1.
What is the InChIKey of methyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate?
The InChIKey is XLXFRTOFAIARFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S2/c1-16-11(13)10-9(4-6-18-10)12-19(14,15)7-8-3-2-5-17-8/h4,6,8,12H,2-3,5,7H2,1H3.
What are the key properties of methyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate?
methyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 55174697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).