N-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide

C14H22N2O2S — CID 62008627

IUPACN-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2(CN)CCCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-12-5-7-13(8-6-12)19(17,18)16(2)14(11-15)9-3-4-10-14/h5-8H,3-4,9-11,15H2,1-2H3
InChIKeyWZFZFNXJOPLDNO-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.89
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide

N-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 62008627) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide
PubChem CID62008627
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2(CN)CCCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-12-5-7-13(8-6-12)19(17,18)16(2)14(11-15)9-3-4-10-14/h5-8H,3-4,9-11,15H2,1-2H3
InChIKeyWZFZFNXJOPLDNO-UHFFFAOYSA-N
XLogP1.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]-4-fluoro-N-methylbenzenesulfonamide
CID 62007612
N-[1-(aminomethyl)cyclopentyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 62008228
1-[methyl-(4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 22179814
N-[1-(aminomethyl)cyclopentyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 62010238
1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 28798848
1-(aminomethyl)-N-(dimethylsulfamoyl)-N-methylcyclopentan-1-amine
CID 62009826
N-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide
CID 167982152
N-[1-(aminomethyl)cyclohexyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 62062769
1-(aminomethyl)-1-[methyl(methylsulfamoyl)amino]cyclopentane
CID 114803856
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 62006539
N-[1-(aminomethyl)cycloheptyl]-N-methyl-1-phenylmethanesulfonamide
CID 62008026
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide (CID 62008627) is N-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C2(CN)CCCC2)cc1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is WZFZFNXJOPLDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12-5-7-13(8-6-12)19(17,18)16(2)14(11-15)9-3-4-10-14/h5-8H,3-4,9-11,15H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide?
N-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 62008627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).