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

C13H20N2O3S — CID 124513952

IUPACN-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N[C@H]1CCC[C@@H]1CN
InChIInChI=1S/C13H20N2O3S/c1-18-12-7-2-3-8-13(12)19(16,17)15-11-6-4-5-10(11)9-14/h2-3,7-8,10-11,15H,4-6,9,14H2,1H3/t10-,11+/m1/s1
InChIKeyLGWWXCIFHKYCNG-MNOVXSKESA-N
MW284.38 g/mol
LogP1.10
Rot. Bonds5

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

N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide (PubChem CID 124513952) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
PubChem CID124513952
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N[C@H]1CCC[C@@H]1CN
InChIInChI=1S/C13H20N2O3S/c1-18-12-7-2-3-8-13(12)19(16,17)15-11-6-4-5-10(11)9-14/h2-3,7-8,10-11,15H,4-6,9,14H2,1H3/t10-,11+/m1/s1
InChIKeyLGWWXCIFHKYCNG-MNOVXSKESA-N
XLogP1.10
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzenesulfonamide;hydrochloride
CID 120711075
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 124686386
methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate
CID 120711044
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide
CID 94903895
N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 124607491
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 124607488
N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 119985644
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120711069
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 119985927
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688350
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688369
N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119985790

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide (CID 124513952) is N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)N[C@H]1CCC[C@@H]1CN.
What is the InChIKey of N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide?
The InChIKey is LGWWXCIFHKYCNG-MNOVXSKESA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-18-12-7-2-3-8-13(12)19(16,17)15-11-6-4-5-10(11)9-14/h2-3,7-8,10-11,15H,4-6,9,14H2,1H3/t10-,11+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide?
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 124513952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).