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

C12H18FN3O2S — CID 103300086

IUPAC1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ncccc2F)CC1C
InChIInChI=1S/C12H18FN3O2S/c1-3-15-7-8-16(9-10(15)2)19(17,18)12-11(13)5-4-6-14-12/h4-6,10H,3,7-9H2,1-2H3
InChIKeyVAAWMJBFHUBPBH-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.94
Rot. Bonds3

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

1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine (PubChem CID 103300086) has the molecular formula C12H18FN3O2S and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine
PubChem CID103300086
Molecular FormulaC12H18FN3O2S
Molecular Weight287.36 g/mol
Exact Mass287.11
IUPAC Name1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2ncccc2F)CC1C
InChIInChI=1S/C12H18FN3O2S/c1-3-15-7-8-16(9-10(15)2)19(17,18)12-11(13)5-4-6-14-12/h4-6,10H,3,7-9H2,1-2H3
InChIKeyVAAWMJBFHUBPBH-UHFFFAOYSA-N
XLogP0.94
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 103299830
N-ethyl-3-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63605654
3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine
CID 103298431
2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine
CID 103300413
1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 103299442
4-(4-ethyl-3-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 63605128
1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
CID 103299166
N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine
CID 103308642
[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 103299267
1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholin-2-yl]ethanamine
CID 103302658
2-(4-ethyl-3-methylpiperazin-1-yl)sulfonylaniline
CID 63604949
2-(chloromethyl)-4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholine
CID 103308297

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine?
The IUPAC name of 1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine (CID 103300086) is 1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine.
What is the SMILES notation for 1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine?
The canonical SMILES for 1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine is CCN1CCN(S(=O)(=O)c2ncccc2F)CC1C.
What is the InChIKey of 1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine?
The InChIKey is VAAWMJBFHUBPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S/c1-3-15-7-8-16(9-10(15)2)19(17,18)12-11(13)5-4-6-14-12/h4-6,10H,3,7-9H2,1-2H3.
What are the key properties of 1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine?
1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine has a molecular weight of 287.36 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine is sourced from PubChem (CID 103300086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).