N-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

C15H24N2O3S — CID 119980805

IUPACN-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NC2(CN)CCCC2)cc1C
InChIInChI=1S/C15H24N2O3S/c1-11-9-14(12(2)8-13(11)20-3)21(18,19)17-15(10-16)6-4-5-7-15/h8-9,17H,4-7,10,16H2,1-3H3
InChIKeyNZFUSBKOFSKUQF-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.86
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

N-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 119980805) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID119980805
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NC2(CN)CCCC2)cc1C
InChIInChI=1S/C15H24N2O3S/c1-11-9-14(12(2)8-13(11)20-3)21(18,19)17-15(10-16)6-4-5-7-15/h8-9,17H,4-7,10,16H2,1-3H3
InChIKeyNZFUSBKOFSKUQF-UHFFFAOYSA-N
XLogP1.86
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2,4,6-trimethoxybenzenesulfonamide
CID 120875153
N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119980798
N-[1-(aminomethyl)cyclopentyl]-4-cyano-2-methoxybenzenesulfonamide;hydrochloride
CID 120875141
N-[1-(aminomethyl)cyclopentyl]-2-methoxy-4-nitrobenzenesulfonamide
CID 119980674
methyl 5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-4-methoxythiophene-2-carboxylate
CID 119980905
N-[1-(aminomethyl)cycloheptyl]-3,4-dimethylbenzenesulfonamide
CID 28941372
N-[1-(aminomethyl)cyclopentyl]-2-methyl-5-nitrobenzenesulfonamide
CID 63889192
N-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 119980611
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113091091
N-[1-(aminomethyl)cyclopentyl]-3-bromo-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 119980791
N-[1-(aminomethyl)cyclohexyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325936

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 119980805) is N-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)NC2(CN)CCCC2)cc1C.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is NZFUSBKOFSKUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-9-14(12(2)8-13(11)20-3)21(18,19)17-15(10-16)6-4-5-7-15/h8-9,17H,4-7,10,16H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 119980805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).