4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide

C14H22N2O3S — CID 102704641

IUPAC4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide
SMILESCOc1cc(CN)ccc1S(=O)(=O)NC1(C)CCCC1
InChIInChI=1S/C14H22N2O3S/c1-14(7-3-4-8-14)16-20(17,18)13-6-5-11(10-15)9-12(13)19-2/h5-6,9,16H,3-4,7-8,10,15H2,1-2H3
InChIKeyAZZFKHHJZPEBMD-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.76
Rot. Bonds5

About 4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide

4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide (PubChem CID 102704641) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide
PubChem CID102704641
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide
SMILESCOc1cc(CN)ccc1S(=O)(=O)NC1(C)CCCC1
InChIInChI=1S/C14H22N2O3S/c1-14(7-3-4-8-14)16-20(17,18)13-6-5-11(10-15)9-12(13)19-2/h5-6,9,16H,3-4,7-8,10,15H2,1-2H3
InChIKeyAZZFKHHJZPEBMD-UHFFFAOYSA-N
XLogP1.76
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-2-methoxy-N-(3-methyloxolan-3-yl)benzenesulfonamide
CID 102704728
4-(aminomethyl)-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
CID 106997142
4-(aminomethyl)-2-methoxy-N-[(1-methoxycyclobutyl)methyl]benzenesulfonamide
CID 106091011
4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
CID 102704778
4-(aminomethyl)-2-methoxy-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031507
3-methoxy-4-[(1-methylcyclopropyl)sulfamoyl]benzoic acid
CID 102695439
4-(aminomethyl)-2-methoxy-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079744
5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide
CID 81487837
4-(aminomethyl)-2-methoxy-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053827
N-[1-(aminomethyl)cyclopentyl]-2-methoxy-4-nitrobenzenesulfonamide
CID 119980674
4-(aminomethyl)-2-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055671
2-fluoro-4-(methylaminomethyl)-N-(1-methylcyclohexyl)benzenesulfonamide
CID 79179658

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide (CID 102704641) is 4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide is COc1cc(CN)ccc1S(=O)(=O)NC1(C)CCCC1.
What is the InChIKey of 4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide?
The InChIKey is AZZFKHHJZPEBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(7-3-4-8-14)16-20(17,18)13-6-5-11(10-15)9-12(13)19-2/h5-6,9,16H,3-4,7-8,10,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide?
4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 102704641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).