5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid

C12H17NO5S2 — CID 104958042

IUPAC5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)sc1C(=O)O
InChIInChI=1S/C12H17NO5S2/c1-7-4-10(19-11(7)12(14)15)20(16,17)13-5-8(2)18-9(3)6-13/h4,8-9H,5-6H2,1-3H3,(H,14,15)/t8-,9+
InChIKeyWSLFPYOHORCCLB-DTORHVGOSA-N
MW319.40 g/mol
LogP1.55
Rot. Bonds3

About 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid

5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid (PubChem CID 104958042) has the molecular formula C12H17NO5S2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid
PubChem CID104958042
Molecular FormulaC12H17NO5S2
Molecular Weight319.40 g/mol
Exact Mass319.05
IUPAC Name5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)sc1C(=O)O
InChIInChI=1S/C12H17NO5S2/c1-7-4-10(19-11(7)12(14)15)20(16,17)13-5-8(2)18-9(3)6-13/h4,8-9H,5-6H2,1-3H3,(H,14,15)/t8-,9+
InChIKeyWSLFPYOHORCCLB-DTORHVGOSA-N
XLogP1.55
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]thiophene-2-carboxylic acid
CID 62988173
5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-3-methylthiophene-2-carboxylic acid
CID 43581495
5-(4-methoxypiperidin-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid
CID 43372972
3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylthiophene-2-carboxylic acid
CID 106773984
2-(bromomethyl)-4-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylmorpholine
CID 102938093
3-methyl-5-(5-oxa-8-azaspiro[3.5]nonan-8-ylsulfonyl)thiophene-2-carboxylic acid
CID 138003226
3-methyl-5-sulfamoylthiophene-2-carboxylic acid
CID 43314426
5-bromo-4-(2,6-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid
CID 62804157
3-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]-4-methylthiophene-2-carboxylic acid
CID 114915204
5-(2-ethylazepan-1-yl)sulfonyl-3-methylthiophene-2-carboxylic acid
CID 104689156
5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine
CID 126422401
5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1,3-thiazol-2-amine
CID 126422400

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid (CID 104958042) is 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)sc1C(=O)O.
What is the InChIKey of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid?
The InChIKey is WSLFPYOHORCCLB-DTORHVGOSA-N. The full InChI is InChI=1S/C12H17NO5S2/c1-7-4-10(19-11(7)12(14)15)20(16,17)13-5-8(2)18-9(3)6-13/h4,8-9H,5-6H2,1-3H3,(H,14,15)/t8-,9+.
What are the key properties of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid?
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 104958042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).