N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylmethanesulfonamide

C17H26F2N2O2S — CID 53321487

IUPACN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylmethanesulfonamide
SMILESCCN(C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1)S(C)(=O)=O
InChIInChI=1S/C17H26F2N2O2S/c1-3-21(24(2,22)23)15-7-4-12(5-8-15)17(20)11-13-10-14(18)6-9-16(13)19/h6,9-10,12,15,17H,3-5,7-8,11,20H2,1-2H3/t12?,15?,17-/m1/s1
InChIKeyHTQUXMHARCVJED-MWHAMWOXSA-N
MW360.47 g/mol
LogP2.67
Rot. Bonds6

About N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylmethanesulfonamide

N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylmethanesulfonamide (PubChem CID 53321487) has the molecular formula C17H26F2N2O2S and a molecular weight of 360.47 g/mol. Its IUPAC name is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylmethanesulfonamide
PubChem CID53321487
Molecular FormulaC17H26F2N2O2S
Molecular Weight360.47 g/mol
Exact Mass360.17
IUPAC NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylmethanesulfonamide
SMILESCCN(C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1)S(C)(=O)=O
InChIInChI=1S/C17H26F2N2O2S/c1-3-21(24(2,22)23)15-7-4-12(5-8-15)17(20)11-13-10-14(18)6-9-16(13)19/h6,9-10,12,15,17H,3-5,7-8,11,20H2,1-2H3/t12?,15?,17-/m1/s1
InChIKeyHTQUXMHARCVJED-MWHAMWOXSA-N
XLogP2.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-methanesulfonamide
CID 44404538
N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide
CID 45479967
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 53318842
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-methylbenzenesulfonamide
CID 53321621
trans-4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)-N-(4,4,4-trifluorobutyl)cyclohexanamine
CID 53324154
(R)-2-(2,5-difluorophenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)ethanamine
CID 53324155
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 53326691
N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]cyclohexyl]methanesulfonamide
CID 70696191
N''-[2-(2''-fluoro-1,1''-biphenyl-4-yl)propyl]-N,N-dimethylsulfamide
CID 9840720
N-((3R,4R)-4-(2''-fluorobiphenyl-4-yl)-1-methylpyrrolidin-3-yl)propane-2-sulfonamide
CID 11610515
N-((4-fluoro-1-(methylsulfonyl) piperidin-4-yl)methyl)-trans-2-phenylcyclopropylamine
CID 130453455
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 N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylmethanesulfonamide (CID 53321487) is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylmethanesulfonamide is CCN(C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1)S(C)(=O)=O.
What is the InChIKey of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylmethanesulfonamide?
The InChIKey is HTQUXMHARCVJED-MWHAMWOXSA-N. The full InChI is InChI=1S/C17H26F2N2O2S/c1-3-21(24(2,22)23)15-7-4-12(5-8-15)17(20)11-13-10-14(18)6-9-16(13)19/h6,9-10,12,15,17H,3-5,7-8,11,20H2,1-2H3/t12?,15?,17-/m1/s1.
What are the key properties of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylmethanesulfonamide?
N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylmethanesulfonamide has a molecular weight of 360.47 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 53321487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).