2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone

C17H25N3O4S — CID 2815599

IUPAC2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-15-2-4-16(5-3-15)25(22,23)20-8-6-18(7-9-20)14-17(21)19-10-12-24-13-11-19/h2-5H,6-14H2,1H3
InChIKeyJMXJLUFECODSAG-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.16
Rot. Bonds4

About 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 2815599) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID2815599
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-15-2-4-16(5-3-15)25(22,23)20-8-6-18(7-9-20)14-17(21)19-10-12-24-13-11-19/h2-5H,6-14H2,1H3
InChIKeyJMXJLUFECODSAG-UHFFFAOYSA-N
XLogP0.16
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone (CID 2815599) is 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone is Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is JMXJLUFECODSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-15-2-4-16(5-3-15)25(22,23)20-8-6-18(7-9-20)14-17(21)19-10-12-24-13-11-19/h2-5H,6-14H2,1H3.
What are the key properties of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 367.47 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 2815599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).