5-bromo-4-(2,5-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid

C11H14BrNO5S2 — CID 43544551

IUPAC5-bromo-4-(2,5-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
SMILESCC1CN(S(=O)(=O)c2cc(C(=O)O)sc2Br)C(C)CO1
InChIInChI=1S/C11H14BrNO5S2/c1-6-5-18-7(2)4-13(6)20(16,17)9-3-8(11(14)15)19-10(9)12/h3,6-7H,4-5H2,1-2H3,(H,14,15)
InChIKeyGMTJNMAFGRUTRL-UHFFFAOYSA-N
MW384.27 g/mol
LogP2.01
Rot. Bonds3

About 5-bromo-4-(2,5-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid

5-bromo-4-(2,5-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid (PubChem CID 43544551) has the molecular formula C11H14BrNO5S2 and a molecular weight of 384.27 g/mol. Its IUPAC name is 5-bromo-4-(2,5-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(2,5-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
PubChem CID43544551
Molecular FormulaC11H14BrNO5S2
Molecular Weight384.27 g/mol
Exact Mass382.95
IUPAC Name5-bromo-4-(2,5-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
SMILESCC1CN(S(=O)(=O)c2cc(C(=O)O)sc2Br)C(C)CO1
InChIInChI=1S/C11H14BrNO5S2/c1-6-5-18-7(2)4-13(6)20(16,17)9-3-8(11(14)15)19-10(9)12/h3,6-7H,4-5H2,1-2H3,(H,14,15)
InChIKeyGMTJNMAFGRUTRL-UHFFFAOYSA-N
XLogP2.01
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 43362507
5-bromo-4-(3-ethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
CID 43612982
5-bromo-4-(2-ethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 43266325
4-(2,5-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 43421867
4-(azocan-1-ylsulfonyl)-5-bromothiophene-2-carboxylic acid
CID 43173264
5-bromo-4-(2-methoxycarbonylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 43473936
methyl 5-bromo-4-(2-methylpiperidin-1-yl)sulfonylthiophene-2-carboxylate
CID 42960419
methyl 3-(2,5-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylate
CID 47165118
4-(3-aminopyrrolidin-1-yl)sulfonyl-5-bromothiophene-2-carboxylic acid
CID 55029547
5-bromo-4-[(4-methyl-3-oxo-1,4-diazepan-1-yl)sulfonyl]thiophene-2-carboxylic acid
CID 102888695
methyl 4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-5-bromothiophene-2-carboxylate
CID 115312587
methyl 2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-4-fluorobenzoate
CID 98753988

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,5-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(2,5-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid (CID 43544551) is 5-bromo-4-(2,5-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(2,5-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(2,5-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid is CC1CN(S(=O)(=O)c2cc(C(=O)O)sc2Br)C(C)CO1.
What is the InChIKey of 5-bromo-4-(2,5-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid?
The InChIKey is GMTJNMAFGRUTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO5S2/c1-6-5-18-7(2)4-13(6)20(16,17)9-3-8(11(14)15)19-10(9)12/h3,6-7H,4-5H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-4-(2,5-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid?
5-bromo-4-(2,5-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid has a molecular weight of 384.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,5-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 43544551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).