(4-propylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone

C13H19N3O3S — CID 719649

IUPAC(4-propylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C13H19N3O3S/c1-2-10-20(18,19)16-8-6-15(7-9-16)13(17)12-4-3-5-14-11-12/h3-5,11H,2,6-10H2,1H3
InChIKeyNMAWQGAZIWWCRM-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.58
Rot. Bonds4

About (4-propylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone

(4-propylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone (PubChem CID 719649) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is (4-propylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(4-propylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone
PubChem CID719649
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name(4-propylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C13H19N3O3S/c1-2-10-20(18,19)16-8-6-15(7-9-16)13(17)12-4-3-5-14-11-12/h3-5,11H,2,6-10H2,1H3
InChIKeyNMAWQGAZIWWCRM-UHFFFAOYSA-N
XLogP0.58
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-propylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone?
The IUPAC name of (4-propylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone (CID 719649) is (4-propylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (4-propylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (4-propylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone is CCCS(=O)(=O)N1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of (4-propylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone?
The InChIKey is NMAWQGAZIWWCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-10-20(18,19)16-8-6-15(7-9-16)13(17)12-4-3-5-14-11-12/h3-5,11H,2,6-10H2,1H3.
What are the key properties of (4-propylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone?
(4-propylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone has a molecular weight of 297.38 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 719649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).