N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide

C12H15F3N2O2S — CID 129368623

IUPACN-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide
SMILESNC[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H15F3N2O2S/c13-8-4-9(14)12(10(15)5-8)20(18,19)17-11-3-1-2-7(11)6-16/h4-5,7,11,17H,1-3,6,16H2/t7-,11+/m0/s1
InChIKeyQJAZIGXHHPRWEY-WRWORJQWSA-N
MW308.33 g/mol
LogP1.51
Rot. Bonds4

About N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide

N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide (PubChem CID 129368623) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide
PubChem CID129368623
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC NameN-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide
SMILESNC[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H15F3N2O2S/c13-8-4-9(14)12(10(15)5-8)20(18,19)17-11-3-1-2-7(11)6-16/h4-5,7,11,17H,1-3,6,16H2/t7-,11+/m0/s1
InChIKeyQJAZIGXHHPRWEY-WRWORJQWSA-N
XLogP1.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide
CID 62955173
N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride
CID 119986072
N-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide
CID 63258670
N-[2-(aminomethyl)cyclopentyl]-2-chloro-6-fluorobenzenesulfonamide;hydrochloride
CID 120711092
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzenesulfonamide
CID 119986443
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide
CID 94903895
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide
CID 124513957
N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 119985644
N-[2-(aminomethyl)cyclopentyl]-2,4,6-trimethylbenzenesulfonamide;hydrochloride
CID 119985791
N-[2-(aminomethyl)cyclopentyl]-2-bromo-4-fluorobenzenesulfonamide;hydrochloride
CID 119985739
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4-methylbenzenesulfonamide
CID 99850252
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 124607488

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide?
The IUPAC name of N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide (CID 129368623) is N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide.
What is the SMILES notation for N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide?
The canonical SMILES for N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide is NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide?
The InChIKey is QJAZIGXHHPRWEY-WRWORJQWSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c13-8-4-9(14)12(10(15)5-8)20(18,19)17-11-3-1-2-7(11)6-16/h4-5,7,11,17H,1-3,6,16H2/t7-,11+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide?
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide has a molecular weight of 308.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,4,6-trifluorobenzenesulfonamide is sourced from PubChem (CID 129368623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).