(2-methyl-5-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone

C16H22N2O5S — CID 645516

IUPAC(2-methyl-5-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C16H22N2O5S/c1-13-2-3-14(24(20,21)18-6-10-23-11-7-18)12-15(13)16(19)17-4-8-22-9-5-17/h2-3,12H,4-11H2,1H3
InChIKeyPYSNKAVBBGNBAK-UHFFFAOYSA-N
MW354.43 g/mol
LogP0.49
Rot. Bonds3

About (2-methyl-5-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone

(2-methyl-5-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone (PubChem CID 645516) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is (2-methyl-5-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-methyl-5-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
PubChem CID645516
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name(2-methyl-5-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C16H22N2O5S/c1-13-2-3-14(24(20,21)18-6-10-23-11-7-18)12-15(13)16(19)17-4-8-22-9-5-17/h2-3,12H,4-11H2,1H3
InChIKeyPYSNKAVBBGNBAK-UHFFFAOYSA-N
XLogP0.49
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (2-methyl-5-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone (CID 645516) is (2-methyl-5-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-methyl-5-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-methyl-5-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCOCC1.
What is the InChIKey of (2-methyl-5-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone?
The InChIKey is PYSNKAVBBGNBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-13-2-3-14(24(20,21)18-6-10-23-11-7-18)12-15(13)16(19)17-4-8-22-9-5-17/h2-3,12H,4-11H2,1H3.
What are the key properties of (2-methyl-5-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone?
(2-methyl-5-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone has a molecular weight of 354.43 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 645516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).