N-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine

C14H21FN2O2S — CID 63879448

IUPACN-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(S(=O)(=O)c2ccccc2F)C1
InChIInChI=1S/C14H21FN2O2S/c1-2-16-10-12-6-5-9-17(11-12)20(18,19)14-8-4-3-7-13(14)15/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3
InChIKeyMEHVDJKJTPVSGX-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.84
Rot. Bonds5

About N-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine

N-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine (PubChem CID 63879448) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine
PubChem CID63879448
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC NameN-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(S(=O)(=O)c2ccccc2F)C1
InChIInChI=1S/C14H21FN2O2S/c1-2-16-10-12-6-5-9-17(11-12)20(18,19)14-8-4-3-7-13(14)15/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3
InChIKeyMEHVDJKJTPVSGX-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2,4-difluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 63879108
N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine
CID 103308642
3-(chloromethyl)-1-(2-fluorophenyl)sulfonylpiperidine
CID 55188405
1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 86972427
1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine
CID 64570512
2-[[1-(2-methylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid;hydrochloride
CID 120727081
1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61203801
N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
CID 119961093
2-[[1-(5-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
CID 120894316
2-[[1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid;hydrochloride
CID 120727017
3-ethyl-1-naphthalen-1-ylsulfonylpiperidine
CID 114795787
1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961191

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine (CID 63879448) is N-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(S(=O)(=O)c2ccccc2F)C1.
What is the InChIKey of N-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine?
The InChIKey is MEHVDJKJTPVSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-2-16-10-12-6-5-9-17(11-12)20(18,19)14-8-4-3-7-13(14)15/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3.
What are the key properties of N-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine?
N-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine has a molecular weight of 300.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 63879448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).