2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine

C13H20FN3O2S — CID 103302531

IUPAC2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(S(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C13H20FN3O2S/c1-15-8-4-11-5-9-17(10-6-11)20(18,19)13-12(14)3-2-7-16-13/h2-3,7,11,15H,4-6,8-10H2,1H3
InChIKeyGINDKNPSVRQRGJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.23
Rot. Bonds5

About 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine

2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine (PubChem CID 103302531) has the molecular formula C13H20FN3O2S and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine
PubChem CID103302531
Molecular FormulaC13H20FN3O2S
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC Name2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(S(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C13H20FN3O2S/c1-15-8-4-11-5-9-17(10-6-11)20(18,19)13-12(14)3-2-7-16-13/h2-3,7,11,15H,4-6,8-10H2,1H3
InChIKeyGINDKNPSVRQRGJ-UHFFFAOYSA-N
XLogP1.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-2-yl]-N-methylethanamine
CID 103302532
2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718290
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid
CID 103298867
N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine
CID 103298412
3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-2-sulfonamide
CID 103300524
3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 103299830
2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine
CID 103300413
1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
CID 103299166
1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 103299708
3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine
CID 103298431
2-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-methylacetamide
CID 103299364
1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 103299442

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine (CID 103302531) is 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine is CNCCC1CCN(S(=O)(=O)c2ncccc2F)CC1.
What is the InChIKey of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine?
The InChIKey is GINDKNPSVRQRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S/c1-15-8-4-11-5-9-17(10-6-11)20(18,19)13-12(14)3-2-7-16-13/h2-3,7,11,15H,4-6,8-10H2,1H3.
What are the key properties of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine?
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine has a molecular weight of 301.39 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine is sourced from PubChem (CID 103302531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).