[(2-methylsulfonylphenyl)sulfonylamino] morpholine-4-carboxylate

C12H16N2O7S2 — CID 53240866

IUPAC[(2-methylsulfonylphenyl)sulfonylamino] morpholine-4-carboxylate
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)NOC(=O)N1CCOCC1
InChIInChI=1S/C12H16N2O7S2/c1-22(16,17)10-4-2-3-5-11(10)23(18,19)13-21-12(15)14-6-8-20-9-7-14/h2-5,13H,6-9H2,1H3
InChIKeyHFMAFHFWHRWHCM-UHFFFAOYSA-N
MW364.40 g/mol
LogP-0.25
Rot. Bonds4

About [(2-methylsulfonylphenyl)sulfonylamino] morpholine-4-carboxylate

[(2-methylsulfonylphenyl)sulfonylamino] morpholine-4-carboxylate (PubChem CID 53240866) has the molecular formula C12H16N2O7S2 and a molecular weight of 364.40 g/mol. Its IUPAC name is [(2-methylsulfonylphenyl)sulfonylamino] morpholine-4-carboxylate.

Molecular Properties

Compound Name[(2-methylsulfonylphenyl)sulfonylamino] morpholine-4-carboxylate
PubChem CID53240866
Molecular FormulaC12H16N2O7S2
Molecular Weight364.40 g/mol
Exact Mass364.04
IUPAC Name[(2-methylsulfonylphenyl)sulfonylamino] morpholine-4-carboxylate
SMILESCS(=O)(=O)c1ccccc1S(=O)(=O)NOC(=O)N1CCOCC1
InChIInChI=1S/C12H16N2O7S2/c1-22(16,17)10-4-2-3-5-11(10)23(18,19)13-21-12(15)14-6-8-20-9-7-14/h2-5,13H,6-9H2,1H3
InChIKeyHFMAFHFWHRWHCM-UHFFFAOYSA-N
XLogP-0.25
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2-methylsulfonylphenyl)sulfonylamino] morpholine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2-methylsulfonylphenyl)sulfonylamino] morpholine-4-carboxylate?
The IUPAC name of [(2-methylsulfonylphenyl)sulfonylamino] morpholine-4-carboxylate (CID 53240866) is [(2-methylsulfonylphenyl)sulfonylamino] morpholine-4-carboxylate.
What is the SMILES notation for [(2-methylsulfonylphenyl)sulfonylamino] morpholine-4-carboxylate?
The canonical SMILES for [(2-methylsulfonylphenyl)sulfonylamino] morpholine-4-carboxylate is CS(=O)(=O)c1ccccc1S(=O)(=O)NOC(=O)N1CCOCC1.
What is the InChIKey of [(2-methylsulfonylphenyl)sulfonylamino] morpholine-4-carboxylate?
The InChIKey is HFMAFHFWHRWHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O7S2/c1-22(16,17)10-4-2-3-5-11(10)23(18,19)13-21-12(15)14-6-8-20-9-7-14/h2-5,13H,6-9H2,1H3.
What are the key properties of [(2-methylsulfonylphenyl)sulfonylamino] morpholine-4-carboxylate?
[(2-methylsulfonylphenyl)sulfonylamino] morpholine-4-carboxylate has a molecular weight of 364.40 g/mol, XLogP of -0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methylsulfonylphenyl)sulfonylamino] morpholine-4-carboxylate is sourced from PubChem (CID 53240866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).