morpholin-4-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone

C18H27N3O4S — CID 1091479

IUPACmorpholin-4-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C18H27N3O4S/c1-14-12-15(2)17(16(3)13-14)26(23,24)21-6-4-19(5-7-21)18(22)20-8-10-25-11-9-20/h12-13H,4-11H2,1-3H3
InChIKeyAAVMWDVOCKURNQ-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.37
Rot. Bonds2

About morpholin-4-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone

morpholin-4-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 1091479) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is morpholin-4-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID1091479
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Namemorpholin-4-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C18H27N3O4S/c1-14-12-15(2)17(16(3)13-14)26(23,24)21-6-4-19(5-7-21)18(22)20-8-10-25-11-9-20/h12-13H,4-11H2,1-3H3
InChIKeyAAVMWDVOCKURNQ-UHFFFAOYSA-N
XLogP1.37
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 1091479) is morpholin-4-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)c(C)c1.
What is the InChIKey of morpholin-4-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is AAVMWDVOCKURNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-14-12-15(2)17(16(3)13-14)26(23,24)21-6-4-19(5-7-21)18(22)20-8-10-25-11-9-20/h12-13H,4-11H2,1-3H3.
What are the key properties of morpholin-4-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone?
morpholin-4-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 381.50 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 1091479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).