4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine

C16H25N3O5S2 — CID 991615

IUPAC4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C16H25N3O5S2/c1-14-3-4-16(15(2)13-14)25(20,21)17-5-7-18(8-6-17)26(22,23)19-9-11-24-12-10-19/h3-4,13H,5-12H2,1-2H3
InChIKeyVNBAOIANMHOHND-UHFFFAOYSA-N
MW403.53 g/mol
LogP0.19
Rot. Bonds4

About 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine

4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine (PubChem CID 991615) has the molecular formula C16H25N3O5S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
PubChem CID991615
Molecular FormulaC16H25N3O5S2
Molecular Weight403.53 g/mol
Exact Mass403.12
IUPAC Name4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C16H25N3O5S2/c1-14-3-4-16(15(2)13-14)25(20,21)17-5-7-18(8-6-17)26(22,23)19-9-11-24-12-10-19/h3-4,13H,5-12H2,1-2H3
InChIKeyVNBAOIANMHOHND-UHFFFAOYSA-N
XLogP0.19
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine (CID 991615) is 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine is Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C)c1.
What is the InChIKey of 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
The InChIKey is VNBAOIANMHOHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S2/c1-14-3-4-16(15(2)13-14)25(20,21)17-5-7-18(8-6-17)26(22,23)19-9-11-24-12-10-19/h3-4,13H,5-12H2,1-2H3.
What are the key properties of 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine has a molecular weight of 403.53 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 991615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).