3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylic acid

C11H15NO5S2 — CID 106773984

IUPAC3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N2CCOC[C@H]2C)sc1C(=O)O
InChIInChI=1S/C11H15NO5S2/c1-7-5-9(18-10(7)11(13)14)19(15,16)12-3-4-17-6-8(12)2/h5,8H,3-4,6H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyYJHRUBSGTHUVNH-MRVPVSSYSA-N
MW305.38 g/mol
LogP1.16
Rot. Bonds3

About 3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylic acid

3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylic acid (PubChem CID 106773984) has the molecular formula C11H15NO5S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylic acid
PubChem CID106773984
Molecular FormulaC11H15NO5S2
Molecular Weight305.38 g/mol
Exact Mass305.04
IUPAC Name3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N2CCOC[C@H]2C)sc1C(=O)O
InChIInChI=1S/C11H15NO5S2/c1-7-5-9(18-10(7)11(13)14)19(15,16)12-3-4-17-6-8(12)2/h5,8H,3-4,6H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyYJHRUBSGTHUVNH-MRVPVSSYSA-N
XLogP1.16
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-ethylmorpholin-4-yl)sulfonyl-3-methylthiophene-2-carboxylic acid
CID 43612947
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid
CID 104958042
4-bromo-3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylbenzoic acid
CID 106773970
3-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]thiophene-2-carboxylic acid
CID 62988173
3-methyl-5-(morpholin-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 83005623
4-(4-fluoro-2,6-dimethylphenyl)sulfonyl-3-methylmorpholine
CID 107326726
N-methyl-5-(3-methylmorpholin-4-yl)sulfonyl-3-nitrothiophen-2-amine
CID 80746916
5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 106773973
1-methyl-4-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrrole-2-carboxylic acid
CID 93044965
5-(2-ethylazepan-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid
CID 104689156
2,5-dimethyl-4-(3-methylmorpholin-4-yl)sulfonylfuran-3-carboxylic acid
CID 43542014
5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-3-methylthiophene-2-carboxylic acid
CID 43581495

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylic acid (CID 106773984) is 3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)N2CCOC[C@H]2C)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylic acid?
The InChIKey is YJHRUBSGTHUVNH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NO5S2/c1-7-5-9(18-10(7)11(13)14)19(15,16)12-3-4-17-6-8(12)2/h5,8H,3-4,6H2,1-2H3,(H,13,14)/t8-/m1/s1.
What are the key properties of 3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylic acid?
3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 106773984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).