2-cyclopentylsulfonyl-N-ethyl-1-(2-methylphenyl)ethanamine

C16H25NO2S — CID 64674888

IUPAC2-cyclopentylsulfonyl-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(CS(=O)(=O)C1CCCC1)c1ccccc1C
InChIInChI=1S/C16H25NO2S/c1-3-17-16(15-11-7-4-8-13(15)2)12-20(18,19)14-9-5-6-10-14/h4,7-8,11,14,16-17H,3,5-6,9-10,12H2,1-2H3
InChIKeyGRFOMCWGCRBQOY-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.00
Rot. Bonds6

About 2-cyclopentylsulfonyl-N-ethyl-1-(2-methylphenyl)ethanamine

2-cyclopentylsulfonyl-N-ethyl-1-(2-methylphenyl)ethanamine (PubChem CID 64674888) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-cyclopentylsulfonyl-N-ethyl-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfonyl-N-ethyl-1-(2-methylphenyl)ethanamine
PubChem CID64674888
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name2-cyclopentylsulfonyl-N-ethyl-1-(2-methylphenyl)ethanamine
SMILESCCNC(CS(=O)(=O)C1CCCC1)c1ccccc1C
InChIInChI=1S/C16H25NO2S/c1-3-17-16(15-11-7-4-8-13(15)2)12-20(18,19)14-9-5-6-10-14/h4,7-8,11,14,16-17H,3,5-6,9-10,12H2,1-2H3
InChIKeyGRFOMCWGCRBQOY-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-cyclopentylsulfonyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64675083
2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 55110608
3-cyclopentyl-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 115794885
N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfonyl)ethanamine
CID 64675879
N-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 63624425
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
3-(3,5-dimethylpiperidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
CID 63481940
N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine
CID 64569899
N'-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-1-(2-methylphenyl)propane-1,3-diamine
CID 64521861
3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine
CID 115794758
2-cycloheptyl-1-(2,3-dimethylphenyl)-N-ethylethanamine
CID 115850456
N-ethyl-1-(2-methylphenyl)-2-(4-methylphenyl)sulfinylethanamine
CID 64659648

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfonyl-N-ethyl-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-cyclopentylsulfonyl-N-ethyl-1-(2-methylphenyl)ethanamine (CID 64674888) is 2-cyclopentylsulfonyl-N-ethyl-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-cyclopentylsulfonyl-N-ethyl-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-cyclopentylsulfonyl-N-ethyl-1-(2-methylphenyl)ethanamine is CCNC(CS(=O)(=O)C1CCCC1)c1ccccc1C.
What is the InChIKey of 2-cyclopentylsulfonyl-N-ethyl-1-(2-methylphenyl)ethanamine?
The InChIKey is GRFOMCWGCRBQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-3-17-16(15-11-7-4-8-13(15)2)12-20(18,19)14-9-5-6-10-14/h4,7-8,11,14,16-17H,3,5-6,9-10,12H2,1-2H3.
What are the key properties of 2-cyclopentylsulfonyl-N-ethyl-1-(2-methylphenyl)ethanamine?
2-cyclopentylsulfonyl-N-ethyl-1-(2-methylphenyl)ethanamine has a molecular weight of 295.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfonyl-N-ethyl-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 64674888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).