(1R)-2-(2,5-difluorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)ethanamine

C14H20F2N2O2S — CID 53324155

IUPAC(1R)-2-(2,5-difluorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)ethanamine
SMILESCS(=O)(=O)N1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C14H20F2N2O2S/c1-21(19,20)18-6-4-10(5-7-18)14(17)9-11-8-12(15)2-3-13(11)16/h2-3,8,10,14H,4-7,9,17H2,1H3/t14-/m1/s1
InChIKeyQFYSNXQHVXXSSR-CQSZACIVSA-N
MW318.39 g/mol
LogP1.51
Rot. Bonds4

About (1R)-2-(2,5-difluorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)ethanamine

(1R)-2-(2,5-difluorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)ethanamine (PubChem CID 53324155) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is (1R)-2-(2,5-difluorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name(1R)-2-(2,5-difluorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)ethanamine
PubChem CID53324155
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name(1R)-2-(2,5-difluorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)ethanamine
SMILESCS(=O)(=O)N1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C14H20F2N2O2S/c1-21(19,20)18-6-4-10(5-7-18)14(17)9-11-8-12(15)2-3-13(11)16/h2-3,8,10,14H,4-7,9,17H2,1H3/t14-/m1/s1
InChIKeyQFYSNXQHVXXSSR-CQSZACIVSA-N
XLogP1.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-1-(piperidin-4-yl)-2-(2,4,5-trifluorophenyl)ethanamine
CID 44592507
N-[(1S)-1-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]-2,2,2-trifluoroethyl]methanesulfonamide
CID 71655815
N-[2-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-methanesulfonamide
CID 44404538
N-Ethyl-N-[2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-methanesulfonamide
CID 44404543
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-ethylmethanesulfonamide
CID 53321487
N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]cyclohexyl]methanesulfonamide
CID 70696191
N-(1-benzylpiperidin-4-yl)methanesulfonamide
CID 669036
(+/-) Propane-2-sulfonic acid [2-(3,4-difluoro-phenyl)-cyclopentyl]-amide
CID 10968688
N-((4-fluoro-1-(piperidin-4-yl-methyl)sulfonyl)piperidin-4-yl) methyl)-trans-2-phenylcyclo-propylamine
CID 130453449
N-((4-fluoro-1-(methylsulfonyl) piperidin-4-yl)methyl)-trans-2-phenylcyclopropylamine
CID 130453455
N-methyl-N-(2-phenylethyl)-1-[(2,2,2-trifluoroethyl)sulfonyl]piperidin-3-amine
CID 23723245
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-(4,4,4-trifluorobutyl)methanesulfonamide
CID 53324293

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2,5-difluorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)ethanamine?
The IUPAC name of (1R)-2-(2,5-difluorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)ethanamine (CID 53324155) is (1R)-2-(2,5-difluorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)ethanamine.
What is the SMILES notation for (1R)-2-(2,5-difluorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)ethanamine?
The canonical SMILES for (1R)-2-(2,5-difluorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)ethanamine is CS(=O)(=O)N1CCC([C@H](N)Cc2cc(F)ccc2F)CC1.
What is the InChIKey of (1R)-2-(2,5-difluorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)ethanamine?
The InChIKey is QFYSNXQHVXXSSR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-21(19,20)18-6-4-10(5-7-18)14(17)9-11-8-12(15)2-3-13(11)16/h2-3,8,10,14H,4-7,9,17H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-2-(2,5-difluorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)ethanamine?
(1R)-2-(2,5-difluorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)ethanamine has a molecular weight of 318.39 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2,5-difluorophenyl)-1-(1-methylsulfonylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 53324155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).