4-(2-methyl-1-propylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid

C12H19N3O5S — CID 62064972

IUPAC4-(2-methyl-1-propylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)N2CCOC(C(=O)O)C2)nc1C
InChIInChI=1S/C12H19N3O5S/c1-3-4-14-8-11(13-9(14)2)21(18,19)15-5-6-20-10(7-15)12(16)17/h8,10H,3-7H2,1-2H3,(H,16,17)
InChIKeyJTIVYLSFNZKUFT-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.08
Rot. Bonds5

About 4-(2-methyl-1-propylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid

4-(2-methyl-1-propylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid (PubChem CID 62064972) has the molecular formula C12H19N3O5S and a molecular weight of 317.37 g/mol. Its IUPAC name is 4-(2-methyl-1-propylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-methyl-1-propylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid
PubChem CID62064972
Molecular FormulaC12H19N3O5S
Molecular Weight317.37 g/mol
Exact Mass317.10
IUPAC Name4-(2-methyl-1-propylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid
SMILESCCCn1cc(S(=O)(=O)N2CCOC(C(=O)O)C2)nc1C
InChIInChI=1S/C12H19N3O5S/c1-3-4-14-8-11(13-9(14)2)21(18,19)15-5-6-20-10(7-15)12(16)17/h8,10H,3-7H2,1-2H3,(H,16,17)
InChIKeyJTIVYLSFNZKUFT-UHFFFAOYSA-N
XLogP0.08
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1-propylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid?
The IUPAC name of 4-(2-methyl-1-propylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid (CID 62064972) is 4-(2-methyl-1-propylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid.
What is the SMILES notation for 4-(2-methyl-1-propylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid?
The canonical SMILES for 4-(2-methyl-1-propylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid is CCCn1cc(S(=O)(=O)N2CCOC(C(=O)O)C2)nc1C.
What is the InChIKey of 4-(2-methyl-1-propylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid?
The InChIKey is JTIVYLSFNZKUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5S/c1-3-4-14-8-11(13-9(14)2)21(18,19)15-5-6-20-10(7-15)12(16)17/h8,10H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 4-(2-methyl-1-propylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid?
4-(2-methyl-1-propylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid has a molecular weight of 317.37 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1-propylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid is sourced from PubChem (CID 62064972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).