4-(2-ethylmorpholin-4-yl)sulfonyl-1H-pyrrole-2-carboxylic acid

C11H16N2O5S — CID 43562582

IUPAC4-(2-ethylmorpholin-4-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
SMILESCCC1CN(S(=O)(=O)c2c[nH]c(C(=O)O)c2)CCO1
InChIInChI=1S/C11H16N2O5S/c1-2-8-7-13(3-4-18-8)19(16,17)9-5-10(11(14)15)12-6-9/h5-6,8,12H,2-4,7H2,1H3,(H,14,15)
InChIKeyDLCOZKQKBLDUSW-UHFFFAOYSA-N
MW288.32 g/mol
LogP0.51
Rot. Bonds4

About 4-(2-ethylmorpholin-4-yl)sulfonyl-1H-pyrrole-2-carboxylic acid

4-(2-ethylmorpholin-4-yl)sulfonyl-1H-pyrrole-2-carboxylic acid (PubChem CID 43562582) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-(2-ethylmorpholin-4-yl)sulfonyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethylmorpholin-4-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
PubChem CID43562582
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name4-(2-ethylmorpholin-4-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
SMILESCCC1CN(S(=O)(=O)c2c[nH]c(C(=O)O)c2)CCO1
InChIInChI=1S/C11H16N2O5S/c1-2-8-7-13(3-4-18-8)19(16,17)9-5-10(11(14)15)12-6-9/h5-6,8,12H,2-4,7H2,1H3,(H,14,15)
InChIKeyDLCOZKQKBLDUSW-UHFFFAOYSA-N
XLogP0.51
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylmorpholin-4-yl)sulfonyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(2-ethylmorpholin-4-yl)sulfonyl-1H-pyrrole-2-carboxylic acid (CID 43562582) is 4-(2-ethylmorpholin-4-yl)sulfonyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(2-ethylmorpholin-4-yl)sulfonyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(2-ethylmorpholin-4-yl)sulfonyl-1H-pyrrole-2-carboxylic acid is CCC1CN(S(=O)(=O)c2c[nH]c(C(=O)O)c2)CCO1.
What is the InChIKey of 4-(2-ethylmorpholin-4-yl)sulfonyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is DLCOZKQKBLDUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-2-8-7-13(3-4-18-8)19(16,17)9-5-10(11(14)15)12-6-9/h5-6,8,12H,2-4,7H2,1H3,(H,14,15).
What are the key properties of 4-(2-ethylmorpholin-4-yl)sulfonyl-1H-pyrrole-2-carboxylic acid?
4-(2-ethylmorpholin-4-yl)sulfonyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 288.32 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylmorpholin-4-yl)sulfonyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 43562582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).