4-[(5-fluoro-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one

C11H14FN3O3S — CID 63608298

IUPAC4-[(5-fluoro-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H14FN3O3S/c1-11(2)10(16)14-3-4-15(11)19(17,18)9-5-8(12)6-13-7-9/h5-7H,3-4H2,1-2H3,(H,14,16)
InChIKeyGONZVAKGKLWJCA-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.12
Rot. Bonds2

About 4-[(5-fluoro-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one

4-[(5-fluoro-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63608298) has the molecular formula C11H14FN3O3S and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[(5-fluoro-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[(5-fluoro-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one
PubChem CID63608298
Molecular FormulaC11H14FN3O3S
Molecular Weight287.32 g/mol
Exact Mass287.07
IUPAC Name4-[(5-fluoro-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H14FN3O3S/c1-11(2)10(16)14-3-4-15(11)19(17,18)9-5-8(12)6-13-7-9/h5-7H,3-4H2,1-2H3,(H,14,16)
InChIKeyGONZVAKGKLWJCA-UHFFFAOYSA-N
XLogP0.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[(5-fluoro-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one (CID 63608298) is 4-[(5-fluoro-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[(5-fluoro-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[(5-fluoro-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of 4-[(5-fluoro-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is GONZVAKGKLWJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3S/c1-11(2)10(16)14-3-4-15(11)19(17,18)9-5-8(12)6-13-7-9/h5-7H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 4-[(5-fluoro-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one?
4-[(5-fluoro-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 287.32 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-3-pyridinyl)sulfonyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63608298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).