3-[3-(hydroxymethyl)morpholin-4-yl]sulfonyl-4-methylthiophene-2-carboxylic acid

C11H15NO6S2 — CID 102749420

IUPAC3-[3-(hydroxymethyl)morpholin-4-yl]sulfonyl-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)N1CCOCC1CO
InChIInChI=1S/C11H15NO6S2/c1-7-6-19-9(11(14)15)10(7)20(16,17)12-2-3-18-5-8(12)4-13/h6,8,13H,2-5H2,1H3,(H,14,15)
InChIKeyZLGVPPASUPFZBB-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.14
Rot. Bonds4

About 3-[3-(hydroxymethyl)morpholin-4-yl]sulfonyl-4-methylthiophene-2-carboxylic acid

3-[3-(hydroxymethyl)morpholin-4-yl]sulfonyl-4-methylthiophene-2-carboxylic acid (PubChem CID 102749420) has the molecular formula C11H15NO6S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)morpholin-4-yl]sulfonyl-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)morpholin-4-yl]sulfonyl-4-methylthiophene-2-carboxylic acid
PubChem CID102749420
Molecular FormulaC11H15NO6S2
Molecular Weight321.38 g/mol
Exact Mass321.03
IUPAC Name3-[3-(hydroxymethyl)morpholin-4-yl]sulfonyl-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)N1CCOCC1CO
InChIInChI=1S/C11H15NO6S2/c1-7-6-19-9(11(14)15)10(7)20(16,17)12-2-3-18-5-8(12)4-13/h6,8,13H,2-5H2,1H3,(H,14,15)
InChIKeyZLGVPPASUPFZBB-UHFFFAOYSA-N
XLogP0.14
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-(hydroxymethyl)morpholin-4-yl]sulfonyl-4-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

5-(3-ethylmorpholin-4-yl)sulfonyl-3-methylthiophene-2-carboxylic acid
CID 43612947
1-[4-(2,4,6-trimethylphenyl)sulfonylmorpholin-3-yl]propan-2-one
CID 136529774
3-(2-carbamoylpiperidin-1-yl)sulfonyl-4-methylthiophene-2-carboxylic acid
CID 102748132
3-(2-ethyl-3-oxopiperazin-1-yl)sulfonyl-4-methylthiophene-2-carboxylic acid
CID 102748767
4-methyl-3-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 103494326
3-(3,4-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophene-2-carboxylic acid
CID 102749382
3-(1,3-dihydroisoindol-2-ylsulfonyl)-4-methylthiophene-2-carboxylic acid
CID 102748662
4-methyl-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]thiophene-2-carboxylic acid
CID 102748571
[4-(2-ethylphenyl)sulfonylmorpholin-3-yl]methanol
CID 126831492
[(3S)-4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-3-yl]methyl ethaneperoxoate
CID 87550329
4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 102747498
methyl 3-[2-(aminomethyl)piperidin-1-yl]sulfonyl-4-methylthiophene-2-carboxylate;hydrochloride
CID 120874742

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)morpholin-4-yl]sulfonyl-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[3-(hydroxymethyl)morpholin-4-yl]sulfonyl-4-methylthiophene-2-carboxylic acid (CID 102749420) is 3-[3-(hydroxymethyl)morpholin-4-yl]sulfonyl-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[3-(hydroxymethyl)morpholin-4-yl]sulfonyl-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[3-(hydroxymethyl)morpholin-4-yl]sulfonyl-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)N1CCOCC1CO.
What is the InChIKey of 3-[3-(hydroxymethyl)morpholin-4-yl]sulfonyl-4-methylthiophene-2-carboxylic acid?
The InChIKey is ZLGVPPASUPFZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S2/c1-7-6-19-9(11(14)15)10(7)20(16,17)12-2-3-18-5-8(12)4-13/h6,8,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 3-[3-(hydroxymethyl)morpholin-4-yl]sulfonyl-4-methylthiophene-2-carboxylic acid?
3-[3-(hydroxymethyl)morpholin-4-yl]sulfonyl-4-methylthiophene-2-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)morpholin-4-yl]sulfonyl-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 102749420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).