[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride

C12H17ClF2N2O2S — CID 119968867

IUPAC[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C12H16F2N2O2S.ClH/c13-10-4-11(14)6-12(5-10)19(17,18)16-3-1-2-9(7-15)8-16;/h4-6,9H,1-3,7-8,15H2;1H
InChIKeyUEHSXRWNYIWXHJ-UHFFFAOYSA-N
MW326.80 g/mol
LogP1.75
Rot. Bonds3

About [1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride

[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride (PubChem CID 119968867) has the molecular formula C12H17ClF2N2O2S and a molecular weight of 326.80 g/mol. Its IUPAC name is [1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
PubChem CID119968867
Molecular FormulaC12H17ClF2N2O2S
Molecular Weight326.80 g/mol
Exact Mass326.07
IUPAC Name[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C12H16F2N2O2S.ClH/c13-10-4-11(14)6-12(5-10)19(17,18)16-3-1-2-9(7-15)8-16;/h4-6,9H,1-3,7-8,15H2;1H
InChIKeyUEHSXRWNYIWXHJ-UHFFFAOYSA-N
XLogP1.75
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972228
(3R)-1-(3,5-difluorophenyl)sulfonylpiperidine-3-carboxamide
CID 94017405
(1-pyridin-3-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968968
2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120727357
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine
CID 55210776
(3R)-1-(3,5-difluorophenyl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
CID 95275233
3-(chloromethyl)-1-(3-fluorophenyl)sulfonylpiperidine
CID 63397711
(1R)-1-[(3R)-1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanol
CID 97239679
[1-(4,6-dimethylpyrimidin-2-yl)sulfonylpiperidin-3-yl]methanamine
CID 71638340
(1S)-1-[(3S)-1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]ethanol
CID 97239680
[1-(4-cyclohexylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971791
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030275

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride (CID 119968867) is [1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride is Cl.NCC1CCCN(S(=O)(=O)c2cc(F)cc(F)c2)C1.
What is the InChIKey of [1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride?
The InChIKey is UEHSXRWNYIWXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S.ClH/c13-10-4-11(14)6-12(5-10)19(17,18)16-3-1-2-9(7-15)8-16;/h4-6,9H,1-3,7-8,15H2;1H.
What are the key properties of [1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride?
[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride has a molecular weight of 326.80 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119968867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).