methyl 4-(5-methylthiophen-2-yl)sulfonylmorpholine-3-carboxylate

C11H15NO5S2 — CID 115672123

IUPACmethyl 4-(5-methylthiophen-2-yl)sulfonylmorpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C11H15NO5S2/c1-8-3-4-10(18-8)19(14,15)12-5-6-17-7-9(12)11(13)16-2/h3-4,9H,5-7H2,1-2H3
InChIKeyIUECWJNROMFDEH-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.62
Rot. Bonds3

About methyl 4-(5-methylthiophen-2-yl)sulfonylmorpholine-3-carboxylate

methyl 4-(5-methylthiophen-2-yl)sulfonylmorpholine-3-carboxylate (PubChem CID 115672123) has the molecular formula C11H15NO5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl 4-(5-methylthiophen-2-yl)sulfonylmorpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-methylthiophen-2-yl)sulfonylmorpholine-3-carboxylate
PubChem CID115672123
Molecular FormulaC11H15NO5S2
Molecular Weight305.38 g/mol
Exact Mass305.04
IUPAC Namemethyl 4-(5-methylthiophen-2-yl)sulfonylmorpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C11H15NO5S2/c1-8-3-4-10(18-8)19(14,15)12-5-6-17-7-9(12)11(13)16-2/h3-4,9H,5-7H2,1-2H3
InChIKeyIUECWJNROMFDEH-UHFFFAOYSA-N
XLogP0.62
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(5-bromo-2-methylphenyl)sulfonylmorpholine-3-carboxylate
CID 115672139
methyl 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine-3-carboxylate
CID 115672109
4-(5-bromothiophen-2-yl)sulfonyl-N-cyclopropylmorpholine-3-carboxamide
CID 83105167
methyl 4-(azepan-1-ylsulfonyl)morpholine-3-carboxylate
CID 115672152
2,3-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholine
CID 110727844
(2,3-dimethylphenyl) 1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 78845702
methyl 4-(2,2,2-trifluoroethylsulfamoyl)morpholine-3-carboxylate
CID 114811644
N-cyclohexyl-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 42943806
methyl 4-methyl-3-[[1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 43049681
[4-(ethylaminomethyl)piperidin-1-yl]-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]methanone
CID 119647161
2-(3-methoxycarbonylmorpholin-4-yl)sulfonylcyclopentane-1-carboxylic acid
CID 103343407
methyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylmorpholine-3-carboxylate
CID 115672140

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-methylthiophen-2-yl)sulfonylmorpholine-3-carboxylate?
The IUPAC name of methyl 4-(5-methylthiophen-2-yl)sulfonylmorpholine-3-carboxylate (CID 115672123) is methyl 4-(5-methylthiophen-2-yl)sulfonylmorpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(5-methylthiophen-2-yl)sulfonylmorpholine-3-carboxylate?
The canonical SMILES for methyl 4-(5-methylthiophen-2-yl)sulfonylmorpholine-3-carboxylate is COC(=O)C1COCCN1S(=O)(=O)c1ccc(C)s1.
What is the InChIKey of methyl 4-(5-methylthiophen-2-yl)sulfonylmorpholine-3-carboxylate?
The InChIKey is IUECWJNROMFDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S2/c1-8-3-4-10(18-8)19(14,15)12-5-6-17-7-9(12)11(13)16-2/h3-4,9H,5-7H2,1-2H3.
What are the key properties of methyl 4-(5-methylthiophen-2-yl)sulfonylmorpholine-3-carboxylate?
methyl 4-(5-methylthiophen-2-yl)sulfonylmorpholine-3-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-methylthiophen-2-yl)sulfonylmorpholine-3-carboxylate is sourced from PubChem (CID 115672123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).