[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone

C17H25N3O4S — CID 1299021

IUPAC[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1C
InChIInChI=1S/C17H25N3O4S/c1-14-3-4-16(13-15(14)2)25(22,23)20-7-5-18(6-8-20)17(21)19-9-11-24-12-10-19/h3-4,13H,5-12H2,1-2H3
InChIKeyGXHMSFPPOGGODX-UHFFFAOYSA-N
MW367.47 g/mol
LogP1.06
Rot. Bonds2

About [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone

[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 1299021) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID1299021
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1C
InChIInChI=1S/C17H25N3O4S/c1-14-3-4-16(13-15(14)2)25(22,23)20-7-5-18(6-8-20)17(21)19-9-11-24-12-10-19/h3-4,13H,5-12H2,1-2H3
InChIKeyGXHMSFPPOGGODX-UHFFFAOYSA-N
XLogP1.06
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone (CID 1299021) is [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1C.
What is the InChIKey of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is GXHMSFPPOGGODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-14-3-4-16(13-15(14)2)25(22,23)20-7-5-18(6-8-20)17(21)19-9-11-24-12-10-19/h3-4,13H,5-12H2,1-2H3.
What are the key properties of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone?
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 367.47 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1299021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).