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

C11H14BrNO5S2 — CID 43592596

IUPAC5-bromo-4-(2,2-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
SMILESCC1(C)CN(S(=O)(=O)c2cc(C(=O)O)sc2Br)CCO1
InChIInChI=1S/C11H14BrNO5S2/c1-11(2)6-13(3-4-18-11)20(16,17)8-5-7(10(14)15)19-9(8)12/h5H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyFVRTUJWJODGHHQ-UHFFFAOYSA-N
MW384.27 g/mol
LogP2.01
Rot. Bonds3

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

5-bromo-4-(2,2-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid (PubChem CID 43592596) has the molecular formula C11H14BrNO5S2 and a molecular weight of 384.27 g/mol. Its IUPAC name is 5-bromo-4-(2,2-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(2,2-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
PubChem CID43592596
Molecular FormulaC11H14BrNO5S2
Molecular Weight384.27 g/mol
Exact Mass382.95
IUPAC Name5-bromo-4-(2,2-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
SMILESCC1(C)CN(S(=O)(=O)c2cc(C(=O)O)sc2Br)CCO1
InChIInChI=1S/C11H14BrNO5S2/c1-11(2)6-13(3-4-18-11)20(16,17)8-5-7(10(14)15)19-9(8)12/h5H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyFVRTUJWJODGHHQ-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-(3-methoxy-3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 107390938
4-(azocan-1-ylsulfonyl)-5-bromothiophene-2-carboxylic acid
CID 43173264
4-(2,2-dimethylmorpholin-4-yl)sulfonyl-3-fluorobenzoic acid
CID 79177245
2-bromo-5-(2,2-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 43430976
4-amino-2-(2,2-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 102931001
5-bromo-4-[(4-methyl-3-oxo-1,4-diazepan-1-yl)sulfonyl]thiophene-2-carboxylic acid
CID 102888695
4-(3-aminopyrrolidin-1-yl)sulfonyl-5-bromothiophene-2-carboxylic acid
CID 55029547
3,5-dibromo-2-(2,2-dimethylmorpholin-4-yl)sulfonylaniline
CID 43592467
5-bromo-4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 43362507
2-bromo-3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-6-fluoroaniline
CID 103077319
5-bromo-4-(3-ethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
CID 43612982
methyl 5-bromo-4-(2-ethylmorpholin-4-yl)sulfonylthiophene-2-carboxylate
CID 42960423

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,2-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(2,2-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid (CID 43592596) is 5-bromo-4-(2,2-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(2,2-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(2,2-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid is CC1(C)CN(S(=O)(=O)c2cc(C(=O)O)sc2Br)CCO1.
What is the InChIKey of 5-bromo-4-(2,2-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid?
The InChIKey is FVRTUJWJODGHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO5S2/c1-11(2)6-13(3-4-18-11)20(16,17)8-5-7(10(14)15)19-9(8)12/h5H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-4-(2,2-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid?
5-bromo-4-(2,2-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-(2,2-dimethylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 43592596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).