4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid

C10H12N2O6S2 — CID 83101664

IUPAC4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
SMILESNC(=O)C1COCCN1S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C10H12N2O6S2/c11-9(13)7-4-18-2-1-12(7)20(16,17)6-3-8(10(14)15)19-5-6/h3,5,7H,1-2,4H2,(H2,11,13)(H,14,15)
InChIKeyUOZHPJLATAJDJZ-UHFFFAOYSA-N
MW320.35 g/mol
LogP-0.68
Rot. Bonds4

About 4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid

4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid (PubChem CID 83101664) has the molecular formula C10H12N2O6S2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
PubChem CID83101664
Molecular FormulaC10H12N2O6S2
Molecular Weight320.35 g/mol
Exact Mass320.01
IUPAC Name4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid
SMILESNC(=O)C1COCCN1S(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C10H12N2O6S2/c11-9(13)7-4-18-2-1-12(7)20(16,17)6-3-8(10(14)15)19-5-6/h3,5,7H,1-2,4H2,(H2,11,13)(H,14,15)
InChIKeyUOZHPJLATAJDJZ-UHFFFAOYSA-N
XLogP-0.68
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-4-(4-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 71193250
4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6486031
4-(4-bromo-3-methylphenyl)sulfonylmorpholine-3-carboxamide
CID 83092323
4-(5-amino-2-fluoro-4-methylphenyl)sulfonylmorpholine-3-carboxamide
CID 83093926
5-bromo-4-(3-carbamoylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid
CID 83096729
4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)thiophene-2-carboxylic acid
CID 55151488
4-(4-butan-2-ylphenyl)sulfonylmorpholine-3-carboxamide
CID 75397867
4-(2-bromo-4,6-difluorophenyl)sulfonylmorpholine-3-carboxamide
CID 83098970
4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]morpholine-3-carboxamide
CID 83096595
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonyl)thiophene-2-carboxylic acid
CID 65319219
4-(2-cyclopentylpyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 61066624
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61068404

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid?
The IUPAC name of 4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid (CID 83101664) is 4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid?
The canonical SMILES for 4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid is NC(=O)C1COCCN1S(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid?
The InChIKey is UOZHPJLATAJDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6S2/c11-9(13)7-4-18-2-1-12(7)20(16,17)6-3-8(10(14)15)19-5-6/h3,5,7H,1-2,4H2,(H2,11,13)(H,14,15).
What are the key properties of 4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid?
4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid has a molecular weight of 320.35 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbamoylmorpholin-4-yl)sulfonylthiophene-2-carboxylic acid is sourced from PubChem (CID 83101664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).