1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylic acid

C10H14N2O5S — CID 8899740

IUPAC1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)O
InChIInChI=1S/C10H14N2O5S/c1-11-7-8(6-9(11)10(13)14)18(15,16)12-2-4-17-5-3-12/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyLNPJLJXTMBERAA-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.26
Rot. Bonds3

About 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylic acid

1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylic acid (PubChem CID 8899740) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylic acid
PubChem CID8899740
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)O
InChIInChI=1S/C10H14N2O5S/c1-11-7-8(6-9(11)10(13)14)18(15,16)12-2-4-17-5-3-12/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyLNPJLJXTMBERAA-UHFFFAOYSA-N
XLogP-0.26
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylic acid?
The IUPAC name of 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylic acid (CID 8899740) is 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylic acid is Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)O.
What is the InChIKey of 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylic acid?
The InChIKey is LNPJLJXTMBERAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-11-7-8(6-9(11)10(13)14)18(15,16)12-2-4-17-5-3-12/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylic acid?
1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylic acid is sourced from PubChem (CID 8899740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).