N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine

C13H20FN3O2S — CID 103308642

IUPACN-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(S(=O)(=O)c2ncccc2F)C1
InChIInChI=1S/C13H20FN3O2S/c1-2-15-9-11-5-4-8-17(10-11)20(18,19)13-12(14)6-3-7-16-13/h3,6-7,11,15H,2,4-5,8-10H2,1H3
InChIKeyWTPYQWGRMARCLC-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.23
Rot. Bonds5

About N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine

N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine (PubChem CID 103308642) has the molecular formula C13H20FN3O2S and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine
PubChem CID103308642
Molecular FormulaC13H20FN3O2S
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC NameN-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(S(=O)(=O)c2ncccc2F)C1
InChIInChI=1S/C13H20FN3O2S/c1-2-15-9-11-5-4-8-17(10-11)20(18,19)13-12(14)6-3-7-16-13/h3,6-7,11,15H,2,4-5,8-10H2,1H3
InChIKeyWTPYQWGRMARCLC-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

[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 103299267
N-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63879448
N-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63879108
3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine
CID 103299373
1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide
CID 103302923
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid
CID 103298824
3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 103299830
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid
CID 103298867
3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine
CID 103298431
1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
CID 103299166
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]ethanamine
CID 114599573
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine
CID 103302531

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine (CID 103308642) is N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(S(=O)(=O)c2ncccc2F)C1.
What is the InChIKey of N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine?
The InChIKey is WTPYQWGRMARCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S/c1-2-15-9-11-5-4-8-17(10-11)20(18,19)13-12(14)6-3-7-16-13/h3,6-7,11,15H,2,4-5,8-10H2,1H3.
What are the key properties of N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine?
N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine 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 N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 103308642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).