1-[2-oxo-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]pyrrolidin-2-one

C13H23N3O4S — CID 15622810

IUPAC1-[2-oxo-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]pyrrolidin-2-one
SMILESCC(C)S(=O)(=O)N1CCN(C(=O)CN2CCCC2=O)CC1
InChIInChI=1S/C13H23N3O4S/c1-11(2)21(19,20)16-8-6-14(7-9-16)13(18)10-15-5-3-4-12(15)17/h11H,3-10H2,1-2H3
InChIKeyYZZCJUDAQDYRKL-UHFFFAOYSA-N
MW317.41 g/mol
LogP-0.51
Rot. Bonds4

About 1-[2-oxo-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]pyrrolidin-2-one

1-[2-oxo-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]pyrrolidin-2-one (PubChem CID 15622810) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-[2-oxo-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]pyrrolidin-2-one
PubChem CID15622810
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC Name1-[2-oxo-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]pyrrolidin-2-one
SMILESCC(C)S(=O)(=O)N1CCN(C(=O)CN2CCCC2=O)CC1
InChIInChI=1S/C13H23N3O4S/c1-11(2)21(19,20)16-8-6-14(7-9-16)13(18)10-15-5-3-4-12(15)17/h11H,3-10H2,1-2H3
InChIKeyYZZCJUDAQDYRKL-UHFFFAOYSA-N
XLogP-0.51
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-oxo-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]pyrrolidin-2-one (CID 15622810) is 1-[2-oxo-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-oxo-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-oxo-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]pyrrolidin-2-one is CC(C)S(=O)(=O)N1CCN(C(=O)CN2CCCC2=O)CC1.
What is the InChIKey of 1-[2-oxo-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]pyrrolidin-2-one?
The InChIKey is YZZCJUDAQDYRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-11(2)21(19,20)16-8-6-14(7-9-16)13(18)10-15-5-3-4-12(15)17/h11H,3-10H2,1-2H3.
What are the key properties of 1-[2-oxo-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]pyrrolidin-2-one?
1-[2-oxo-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]pyrrolidin-2-one has a molecular weight of 317.41 g/mol, XLogP of -0.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(4-propan-2-ylsulfonylpiperazin-1-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 15622810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).