1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-methylpiperazine

C10H14FN3O2S — CID 103298949

IUPAC1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C10H14FN3O2S/c1-13-5-7-14(8-6-13)17(15,16)10-9(11)3-2-4-12-10/h2-4H,5-8H2,1H3
InChIKeyYOJHISRXNDPZKV-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.16
Rot. Bonds2

About 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-methylpiperazine

1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-methylpiperazine (PubChem CID 103298949) has the molecular formula C10H14FN3O2S and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-methylpiperazine
PubChem CID103298949
Molecular FormulaC10H14FN3O2S
Molecular Weight259.31 g/mol
Exact Mass259.08
IUPAC Name1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C10H14FN3O2S/c1-13-5-7-14(8-6-13)17(15,16)10-9(11)3-2-4-12-10/h2-4H,5-8H2,1H3
InChIKeyYOJHISRXNDPZKV-UHFFFAOYSA-N
XLogP0.16
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-methylpiperazine?
The IUPAC name of 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-methylpiperazine (CID 103298949) is 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-methylpiperazine?
The canonical SMILES for 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-methylpiperazine is CN1CCN(S(=O)(=O)c2ncccc2F)CC1.
What is the InChIKey of 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-methylpiperazine?
The InChIKey is YOJHISRXNDPZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2S/c1-13-5-7-14(8-6-13)17(15,16)10-9(11)3-2-4-12-10/h2-4H,5-8H2,1H3.
What are the key properties of 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-methylpiperazine?
1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-methylpiperazine has a molecular weight of 259.31 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-methylpiperazine is sourced from PubChem (CID 103298949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).