[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate

C16H20N2O6S — CID 2086601

IUPAC[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H20N2O6S/c19-15(11-24-16(20)12-1-2-12)17-13-3-5-14(6-4-13)25(21,22)18-7-9-23-10-8-18/h3-6,12H,1-2,7-11H2,(H,17,19)
InChIKeySOTUPYBLOHHRHX-UHFFFAOYSA-N
MW368.41 g/mol
LogP0.60
Rot. Bonds6

About [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 2086601) has the molecular formula C16H20N2O6S and a molecular weight of 368.41 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
PubChem CID2086601
Molecular FormulaC16H20N2O6S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H20N2O6S/c19-15(11-24-16(20)12-1-2-12)17-13-3-5-14(6-4-13)25(21,22)18-7-9-23-10-8-18/h3-6,12H,1-2,7-11H2,(H,17,19)
InChIKeySOTUPYBLOHHRHX-UHFFFAOYSA-N
XLogP0.60
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate (CID 2086601) is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate is O=C(COC(=O)C1CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is SOTUPYBLOHHRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6S/c19-15(11-24-16(20)12-1-2-12)17-13-3-5-14(6-4-13)25(21,22)18-7-9-23-10-8-18/h3-6,12H,1-2,7-11H2,(H,17,19).
What are the key properties of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate?
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 368.41 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 2086601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).