N-[2-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzenesulfonamide;hydrochloride

C14H23ClN2O4S — CID 120711075

IUPACN-[2-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzenesulfonamide;hydrochloride
SMILESCOc1cccc(OC)c1S(=O)(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C14H22N2O4S.ClH/c1-19-12-7-4-8-13(20-2)14(12)21(17,18)16-11-6-3-5-10(11)9-15;/h4,7-8,10-11,16H,3,5-6,9,15H2,1-2H3;1H
InChIKeyAUKNRGDVDMHLRY-UHFFFAOYSA-N
MW350.87 g/mol
LogP1.53
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzenesulfonamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzenesulfonamide;hydrochloride (PubChem CID 120711075) has the molecular formula C14H23ClN2O4S and a molecular weight of 350.87 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzenesulfonamide;hydrochloride
PubChem CID120711075
Molecular FormulaC14H23ClN2O4S
Molecular Weight350.87 g/mol
Exact Mass350.11
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzenesulfonamide;hydrochloride
SMILESCOc1cccc(OC)c1S(=O)(=O)NC1CCCC1CN.Cl
InChIInChI=1S/C14H22N2O4S.ClH/c1-19-12-7-4-8-13(20-2)14(12)21(17,18)16-11-6-3-5-10(11)9-15;/h4,7-8,10-11,16H,3,5-6,9,15H2,1-2H3;1H
InChIKeyAUKNRGDVDMHLRY-UHFFFAOYSA-N
XLogP1.53
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 119985927
N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119985790
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 124686386
methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate
CID 120711044
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-chloro-6-fluorobenzenesulfonamide;hydrochloride
CID 120711092
N-[2-(aminomethyl)cyclopentyl]-2,4,6-trimethylbenzenesulfonamide;hydrochloride
CID 119985791
N-[2-(aminomethyl)cyclopentyl]-4-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119985813
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688369
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688350

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzenesulfonamide;hydrochloride (CID 120711075) is N-[2-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzenesulfonamide;hydrochloride is COc1cccc(OC)c1S(=O)(=O)NC1CCCC1CN.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzenesulfonamide;hydrochloride?
The InChIKey is AUKNRGDVDMHLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S.ClH/c1-19-12-7-4-8-13(20-2)14(12)21(17,18)16-11-6-3-5-10(11)9-15;/h4,7-8,10-11,16H,3,5-6,9,15H2,1-2H3;1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzenesulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzenesulfonamide;hydrochloride has a molecular weight of 350.87 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120711075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).