2-[4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholin-3-yl]acetic acid

C11H17N3O5S — CID 56909334

IUPAC2-[4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholin-3-yl]acetic acid
SMILESCc1nc(S(=O)(=O)N2CCOCC2CC(=O)O)cn1C
InChIInChI=1S/C11H17N3O5S/c1-8-12-10(6-13(8)2)20(17,18)14-3-4-19-7-9(14)5-11(15)16/h6,9H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyOYEDTEZKSXCEKG-UHFFFAOYSA-N
MW303.34 g/mol
LogP-0.41
Rot. Bonds4

About 2-[4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholin-3-yl]acetic acid

2-[4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholin-3-yl]acetic acid (PubChem CID 56909334) has the molecular formula C11H17N3O5S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholin-3-yl]acetic acid
PubChem CID56909334
Molecular FormulaC11H17N3O5S
Molecular Weight303.34 g/mol
Exact Mass303.09
IUPAC Name2-[4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholin-3-yl]acetic acid
SMILESCc1nc(S(=O)(=O)N2CCOCC2CC(=O)O)cn1C
InChIInChI=1S/C11H17N3O5S/c1-8-12-10(6-13(8)2)20(17,18)14-3-4-19-7-9(14)5-11(15)16/h6,9H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyOYEDTEZKSXCEKG-UHFFFAOYSA-N
XLogP-0.41
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholin-3-yl]acetic acid (CID 56909334) is 2-[4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholin-3-yl]acetic acid is Cc1nc(S(=O)(=O)N2CCOCC2CC(=O)O)cn1C.
What is the InChIKey of 2-[4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholin-3-yl]acetic acid?
The InChIKey is OYEDTEZKSXCEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5S/c1-8-12-10(6-13(8)2)20(17,18)14-3-4-19-7-9(14)5-11(15)16/h6,9H,3-5,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholin-3-yl]acetic acid?
2-[4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholin-3-yl]acetic acid has a molecular weight of 303.34 g/mol, XLogP of -0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2-dimethylimidazol-4-yl)sulfonylmorpholin-3-yl]acetic acid is sourced from PubChem (CID 56909334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).