(3-methoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone

C15H22N2O4S — CID 719650

IUPAC(3-methoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C15H22N2O4S/c1-3-11-22(19,20)17-9-7-16(8-10-17)15(18)13-5-4-6-14(12-13)21-2/h4-6,12H,3,7-11H2,1-2H3
InChIKeyDSHCONDEBSUDRD-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.19
Rot. Bonds5

About (3-methoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone

(3-methoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone (PubChem CID 719650) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is (3-methoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
PubChem CID719650
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name(3-methoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C15H22N2O4S/c1-3-11-22(19,20)17-9-7-16(8-10-17)15(18)13-5-4-6-14(12-13)21-2/h4-6,12H,3,7-11H2,1-2H3
InChIKeyDSHCONDEBSUDRD-UHFFFAOYSA-N
XLogP1.19
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone (CID 719650) is (3-methoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone is CCCS(=O)(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1.
What is the InChIKey of (3-methoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The InChIKey is DSHCONDEBSUDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-11-22(19,20)17-9-7-16(8-10-17)15(18)13-5-4-6-14(12-13)21-2/h4-6,12H,3,7-11H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone?
(3-methoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone has a molecular weight of 326.42 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(4-propylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 719650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).