N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide

C12H17FN2O2S — CID 94903895

IUPACN-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide
SMILESNC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H17FN2O2S/c13-10-5-1-2-7-12(10)18(16,17)15-11-6-3-4-9(11)8-14/h1-2,5,7,9,11,15H,3-4,6,8,14H2/t9-,11-/m1/s1
InChIKeyYKXNHYYOEPBVAE-MWLCHTKSSA-N
MW272.34 g/mol
LogP1.23
Rot. Bonds4

About N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide

N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide (PubChem CID 94903895) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide
PubChem CID94903895
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC NameN-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide
SMILESNC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H17FN2O2S/c13-10-5-1-2-7-12(10)18(16,17)15-11-6-3-4-9(11)8-14/h1-2,5,7,9,11,15H,3-4,6,8,14H2/t9-,11-/m1/s1
InChIKeyYKXNHYYOEPBVAE-MWLCHTKSSA-N
XLogP1.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 119985644
2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836039
N-[2-(aminomethyl)cyclopentyl]-2,4-difluorobenzenesulfonamide
CID 62955173
N-[2-(aminomethyl)cyclopentyl]-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119985718
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4-methylbenzenesulfonamide
CID 99850252
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120711069
N-(2-bromocyclopentyl)-2-fluorobenzenesulfonamide
CID 80662243
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-5-(trifluoromethyl)benzenesulfonamide
CID 119985898
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
N-[2-(aminomethyl)cyclopentyl]-2-chloro-6-fluorobenzenesulfonamide;hydrochloride
CID 120711092
2-[(2-fluorophenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
CID 76978995
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120711198

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide (CID 94903895) is N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide is NC[C@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide?
The InChIKey is YKXNHYYOEPBVAE-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c13-10-5-1-2-7-12(10)18(16,17)15-11-6-3-4-9(11)8-14/h1-2,5,7,9,11,15H,3-4,6,8,14H2/t9-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide?
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 94903895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).