1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine

C16H25NO2S — CID 104753847

IUPAC1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
SMILESCNC(CS(=O)(=O)c1ccc(C)c(C)c1)C1CCCC1
InChIInChI=1S/C16H25NO2S/c1-12-8-9-15(10-13(12)2)20(18,19)11-16(17-3)14-6-4-5-7-14/h8-10,14,16-17H,4-7,11H2,1-3H3
InChIKeyQZTVGIBMAPUABI-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.86
Rot. Bonds5

About 1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine

1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine (PubChem CID 104753847) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
PubChem CID104753847
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
SMILESCNC(CS(=O)(=O)c1ccc(C)c(C)c1)C1CCCC1
InChIInChI=1S/C16H25NO2S/c1-12-8-9-15(10-13(12)2)20(18,19)11-16(17-3)14-6-4-5-7-14/h8-10,14,16-17H,4-7,11H2,1-3H3
InChIKeyQZTVGIBMAPUABI-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-N-methylpropan-2-amine
CID 64640027
1-cyclopentyl-N-methyl-2-(2-methylphenyl)sulfonylethanamine
CID 104754126
1-cyclopentyl-2-(2-fluorophenyl)sulfonyl-N-methylethanamine
CID 104753879
N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119986951
3-(3,4-dimethylphenyl)sulfonyl-2-methylpropan-1-amine
CID 64697371
2-[(3,4-dimethylphenyl)sulfonylmethyl]oxane
CID 71979163
2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
CID 64640024
1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-N-methylmethanamine
CID 63249776
1-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]ethanamine
CID 104754194
4-(2-bromo-3,3,3-trifluoropropyl)sulfonyl-1,2-dimethylbenzene
CID 64757116
1-cyclopropyl-2-(2,6-dichlorophenyl)sulfonyl-N-methylethanamine
CID 64675532
2-(3-chlorophenyl)sulfonyl-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104754168

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine?
The IUPAC name of 1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine (CID 104753847) is 1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine?
The canonical SMILES for 1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine is CNC(CS(=O)(=O)c1ccc(C)c(C)c1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine?
The InChIKey is QZTVGIBMAPUABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-12-8-9-15(10-13(12)2)20(18,19)11-16(17-3)14-6-4-5-7-14/h8-10,14,16-17H,4-7,11H2,1-3H3.
What are the key properties of 1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine?
1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine has a molecular weight of 295.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine is sourced from PubChem (CID 104753847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).