N-(2-amino-1-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

C15H21F3N2O2S — CID 120585032

IUPACN-(2-amino-1-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESNCC(NS(=O)(=O)Cc1cccc(C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C15H21F3N2O2S/c16-15(17,18)13-7-3-4-11(8-13)10-23(21,22)20-14(9-19)12-5-1-2-6-12/h3-4,7-8,12,14,20H,1-2,5-6,9-10,19H2
InChIKeyGFIQVMDEVNPPLE-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.64
Rot. Bonds6

About N-(2-amino-1-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

N-(2-amino-1-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 120585032) has the molecular formula C15H21F3N2O2S and a molecular weight of 350.41 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID120585032
Molecular FormulaC15H21F3N2O2S
Molecular Weight350.41 g/mol
Exact Mass350.13
IUPAC NameN-(2-amino-1-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESNCC(NS(=O)(=O)Cc1cccc(C(F)(F)F)c1)C1CCCC1
InChIInChI=1S/C15H21F3N2O2S/c16-15(17,18)13-7-3-4-11(8-13)10-23(21,22)20-14(9-19)12-5-1-2-6-12/h3-4,7-8,12,14,20H,1-2,5-6,9-10,19H2
InChIKeyGFIQVMDEVNPPLE-UHFFFAOYSA-N
XLogP2.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 112569664
N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120585169
N-(2-amino-1,2-diphenylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 59537440
1-[3-(aminomethyl)phenyl]-N-(dicyclopropylmethyl)methanesulfonamide
CID 61482657
N-(2-amino-1-cyclopentylethyl)ethanesulfonamide
CID 106737875
N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119986603
N-(cyanomethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 15616017
1-cyclopentyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107303892
N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120584913
N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
CID 166520360
N-(2-amino-1-cyclopentylethyl)-1-cyanomethanesulfonamide
CID 106737773
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (CID 120585032) is N-(2-amino-1-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is NCC(NS(=O)(=O)Cc1cccc(C(F)(F)F)c1)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is GFIQVMDEVNPPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2S/c16-15(17,18)13-7-3-4-11(8-13)10-23(21,22)20-14(9-19)12-5-1-2-6-12/h3-4,7-8,12,14,20H,1-2,5-6,9-10,19H2.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
N-(2-amino-1-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 350.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 120585032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).