3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide

C15H24N2O3S — CID 106064265

IUPAC3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCCC2C)cc1CN
InChIInChI=1S/C15H24N2O3S/c1-3-20-15-8-7-13(9-12(15)10-16)21(18,19)17-14-6-4-5-11(14)2/h7-9,11,14,17H,3-6,10,16H2,1-2H3
InChIKeyWMMYPBUMORKQJX-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.01
Rot. Bonds6

About 3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide

3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide (PubChem CID 106064265) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide
PubChem CID106064265
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CCCC2C)cc1CN
InChIInChI=1S/C15H24N2O3S/c1-3-20-15-8-7-13(9-12(15)10-16)21(18,19)17-14-6-4-5-11(14)2/h7-9,11,14,17H,3-6,10,16H2,1-2H3
InChIKeyWMMYPBUMORKQJX-UHFFFAOYSA-N
XLogP2.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 50876225
N-[(1S,2S)-2-methylcyclohexyl]-3,4-dipropoxybenzenesulfonamide
CID 95864987
3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277889
3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 63288235
5-chloro-2-ethoxy-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 40793418
4-bromo-N-(2-methylcyclohexyl)-3-propoxybenzenesulfonamide
CID 16645075
3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076121
3-(aminomethyl)-4-ethoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331682
2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064241
3-(aminomethyl)-4-ethoxy-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106083858
3-butoxy-4-chloro-N-[(1R,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 35202724
3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277688

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide (CID 106064265) is 3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NC2CCCC2C)cc1CN.
What is the InChIKey of 3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide?
The InChIKey is WMMYPBUMORKQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-20-15-8-7-13(9-12(15)10-16)21(18,19)17-14-6-4-5-11(14)2/h7-9,11,14,17H,3-6,10,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide?
3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 106064265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).