1-methyl-4-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrrole-2-carboxylic acid

C11H16N2O5S — CID 93044965

IUPAC1-methyl-4-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrrole-2-carboxylic acid
SMILESC[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C11H16N2O5S/c1-8-7-18-4-3-13(8)19(16,17)9-5-10(11(14)15)12(2)6-9/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)/t8-/m1/s1
InChIKeyBDYUVBVDRKWDKB-MRVPVSSYSA-N
MW288.32 g/mol
LogP0.13
Rot. Bonds3

About 1-methyl-4-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrrole-2-carboxylic acid

1-methyl-4-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrrole-2-carboxylic acid (PubChem CID 93044965) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-methyl-4-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrrole-2-carboxylic acid
PubChem CID93044965
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name1-methyl-4-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrrole-2-carboxylic acid
SMILESC[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)O)n(C)c1
InChIInChI=1S/C11H16N2O5S/c1-8-7-18-4-3-13(8)19(16,17)9-5-10(11(14)15)12(2)6-9/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)/t8-/m1/s1
InChIKeyBDYUVBVDRKWDKB-MRVPVSSYSA-N
XLogP0.13
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methylmorpholin-4-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644635
2-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43542002
2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43542000
4-[[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]-1-methylpyrrole-2-carboxylic acid
CID 99603317
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1-methylpyrrole-2-carboxylic acid
CID 82752043
(E)-3-[4-[(3R)-3-methylmorpholin-4-yl]sulfonylphenyl]prop-2-enoic acid
CID 106773963
4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
CID 47171390
5-[(3R)-3-methylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 106773973
1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea
CID 110352480
4-bromo-3-methyl-5-[(3R)-3-methylmorpholin-4-yl]sulfonylbenzoic acid
CID 106773970
1-methyl-4-methylsulfonylpyrrole-2-carboxylic acid
CID 130741951
3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
CID 110343522

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrrole-2-carboxylic acid?
The IUPAC name of 1-methyl-4-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrrole-2-carboxylic acid (CID 93044965) is 1-methyl-4-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrrole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrrole-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrrole-2-carboxylic acid is C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)O)n(C)c1.
What is the InChIKey of 1-methyl-4-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrrole-2-carboxylic acid?
The InChIKey is BDYUVBVDRKWDKB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-8-7-18-4-3-13(8)19(16,17)9-5-10(11(14)15)12(2)6-9/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)/t8-/m1/s1.
What are the key properties of 1-methyl-4-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrrole-2-carboxylic acid?
1-methyl-4-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrrole-2-carboxylic acid has a molecular weight of 288.32 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3R)-3-methylmorpholin-4-yl]sulfonylpyrrole-2-carboxylic acid is sourced from PubChem (CID 93044965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).