4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid

C9H13N3O5S — CID 62373777

IUPAC4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid
SMILESCn1cnc(S(=O)(=O)N2CCOC(C(=O)O)C2)c1
InChIInChI=1S/C9H13N3O5S/c1-11-5-8(10-6-11)18(15,16)12-2-3-17-7(4-12)9(13)14/h5-7H,2-4H2,1H3,(H,13,14)
InChIKeyJVQRNNVPXPQWFB-UHFFFAOYSA-N
MW275.29 g/mol
LogP-1.11
Rot. Bonds3

About 4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid

4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid (PubChem CID 62373777) has the molecular formula C9H13N3O5S and a molecular weight of 275.29 g/mol. Its IUPAC name is 4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid
PubChem CID62373777
Molecular FormulaC9H13N3O5S
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Name4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid
SMILESCn1cnc(S(=O)(=O)N2CCOC(C(=O)O)C2)c1
InChIInChI=1S/C9H13N3O5S/c1-11-5-8(10-6-11)18(15,16)12-2-3-17-7(4-12)9(13)14/h5-7H,2-4H2,1H3,(H,13,14)
InChIKeyJVQRNNVPXPQWFB-UHFFFAOYSA-N
XLogP-1.11
TPSA101.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid?
The IUPAC name of 4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid (CID 62373777) is 4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid.
What is the SMILES notation for 4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid?
The canonical SMILES for 4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid is Cn1cnc(S(=O)(=O)N2CCOC(C(=O)O)C2)c1.
What is the InChIKey of 4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid?
The InChIKey is JVQRNNVPXPQWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5S/c1-11-5-8(10-6-11)18(15,16)12-2-3-17-7(4-12)9(13)14/h5-7H,2-4H2,1H3,(H,13,14).
What are the key properties of 4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid?
4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid has a molecular weight of 275.29 g/mol, XLogP of -1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-4-yl)sulfonylmorpholine-2-carboxylic acid is sourced from PubChem (CID 62373777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).