1-cyclopentyl-N-methyl-2-(2-methylphenyl)sulfonylethanamine

C15H23NO2S — CID 104754126

IUPAC1-cyclopentyl-N-methyl-2-(2-methylphenyl)sulfonylethanamine
SMILESCNC(CS(=O)(=O)c1ccccc1C)C1CCCC1
InChIInChI=1S/C15H23NO2S/c1-12-7-3-6-10-15(12)19(17,18)11-14(16-2)13-8-4-5-9-13/h3,6-7,10,13-14,16H,4-5,8-9,11H2,1-2H3
InChIKeyFSIDXDJXLHGEDO-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.55
Rot. Bonds5

About 1-cyclopentyl-N-methyl-2-(2-methylphenyl)sulfonylethanamine

1-cyclopentyl-N-methyl-2-(2-methylphenyl)sulfonylethanamine (PubChem CID 104754126) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-2-(2-methylphenyl)sulfonylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-2-(2-methylphenyl)sulfonylethanamine
PubChem CID104754126
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-cyclopentyl-N-methyl-2-(2-methylphenyl)sulfonylethanamine
SMILESCNC(CS(=O)(=O)c1ccccc1C)C1CCCC1
InChIInChI=1S/C15H23NO2S/c1-12-7-3-6-10-15(12)19(17,18)11-14(16-2)13-8-4-5-9-13/h3,6-7,10,13-14,16H,4-5,8-9,11H2,1-2H3
InChIKeyFSIDXDJXLHGEDO-UHFFFAOYSA-N
XLogP2.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-(2-fluorophenyl)sulfonyl-N-methylethanamine
CID 104753879
1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
CID 104753847
1-cyclopropyl-N-methyl-2-(2-nitrophenyl)sulfonylethanamine
CID 64646113
1-cyclohexyl-2-methyl-3-(2-methylphenyl)sulfonylpropan-1-one
CID 56980064
1-cyclopropyl-2-(2,6-dichlorophenyl)sulfonyl-N-methylethanamine
CID 64675532
1-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]ethanamine
CID 104754194
N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 120585153
2-(1-cyclohexylpropylamino)-N-methylbenzenesulfonamide
CID 62406135
2-methyl-3-(2-methylphenyl)sulfonylpropanenitrile
CID 64692244
1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine
CID 104748343
1-cyclopentyl-N-(2-propylsulfonylphenyl)ethane-1,2-diamine
CID 106738112
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-2-(2-methylphenyl)sulfonylethanamine?
The IUPAC name of 1-cyclopentyl-N-methyl-2-(2-methylphenyl)sulfonylethanamine (CID 104754126) is 1-cyclopentyl-N-methyl-2-(2-methylphenyl)sulfonylethanamine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-2-(2-methylphenyl)sulfonylethanamine?
The canonical SMILES for 1-cyclopentyl-N-methyl-2-(2-methylphenyl)sulfonylethanamine is CNC(CS(=O)(=O)c1ccccc1C)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-methyl-2-(2-methylphenyl)sulfonylethanamine?
The InChIKey is FSIDXDJXLHGEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12-7-3-6-10-15(12)19(17,18)11-14(16-2)13-8-4-5-9-13/h3,6-7,10,13-14,16H,4-5,8-9,11H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-methyl-2-(2-methylphenyl)sulfonylethanamine?
1-cyclopentyl-N-methyl-2-(2-methylphenyl)sulfonylethanamine has a molecular weight of 281.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-2-(2-methylphenyl)sulfonylethanamine is sourced from PubChem (CID 104754126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).