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

C12H17N3O3S — CID 719637

IUPAC(4-ethylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C12H17N3O3S/c1-2-19(17,18)15-8-6-14(7-9-15)12(16)11-4-3-5-13-10-11/h3-5,10H,2,6-9H2,1H3
InChIKeyNWFUAKYTTIZZAB-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.19
Rot. Bonds3

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

(4-ethylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone (PubChem CID 719637) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is (4-ethylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(4-ethylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone
PubChem CID719637
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name(4-ethylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C12H17N3O3S/c1-2-19(17,18)15-8-6-14(7-9-15)12(16)11-4-3-5-13-10-11/h3-5,10H,2,6-9H2,1H3
InChIKeyNWFUAKYTTIZZAB-UHFFFAOYSA-N
XLogP0.19
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone?
The IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone (CID 719637) is (4-ethylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone.
What is the SMILES notation for (4-ethylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone?
The canonical SMILES for (4-ethylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone is CCS(=O)(=O)N1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of (4-ethylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone?
The InChIKey is NWFUAKYTTIZZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-19(17,18)15-8-6-14(7-9-15)12(16)11-4-3-5-13-10-11/h3-5,10H,2,6-9H2,1H3.
What are the key properties of (4-ethylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone?
(4-ethylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone has a molecular weight of 283.35 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone is sourced from PubChem (CID 719637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).