5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid

C10H13NO5S2 — CID 54907275

IUPAC5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)O)s2)CCO1
InChIInChI=1S/C10H13NO5S2/c1-7-6-11(4-5-16-7)18(14,15)9-3-2-8(17-9)10(12)13/h2-3,7H,4-6H2,1H3,(H,12,13)
InChIKeyIIYNVQVPCXKEJR-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.86
Rot. Bonds3

About 5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid

5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid (PubChem CID 54907275) has the molecular formula C10H13NO5S2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
PubChem CID54907275
Molecular FormulaC10H13NO5S2
Molecular Weight291.35 g/mol
Exact Mass291.02
IUPAC Name5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)O)s2)CCO1
InChIInChI=1S/C10H13NO5S2/c1-7-6-11(4-5-16-7)18(14,15)9-3-2-8(17-9)10(12)13/h2-3,7H,4-6H2,1H3,(H,12,13)
InChIKeyIIYNVQVPCXKEJR-UHFFFAOYSA-N
XLogP0.86
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
CID 63327924
4-(2-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 18072868
5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 167188471
5-pyrrolidin-1-ylsulfonylthiophene-2-carboxylic acid
CID 61027232
5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907129
5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 81464542
5-(3-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907136
5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 54907417
4-(4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 43388105
3-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]thiophene-2-carboxylic acid
CID 62988173
2-(2-methylmorpholin-4-yl)sulfonylphenol
CID 81239969
5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]thiophene-3-carboxylic acid
CID 55152573

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid (CID 54907275) is 5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid is CC1CN(S(=O)(=O)c2ccc(C(=O)O)s2)CCO1.
What is the InChIKey of 5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid?
The InChIKey is IIYNVQVPCXKEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S2/c1-7-6-11(4-5-16-7)18(14,15)9-3-2-8(17-9)10(12)13/h2-3,7H,4-6H2,1H3,(H,12,13).
What are the key properties of 5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid?
5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 54907275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).