N-[2-cyclopentylsulfonyl-1-(2-methylphenyl)ethyl]propan-1-amine

C17H27NO2S — CID 64675083

IUPACN-[2-cyclopentylsulfonyl-1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CS(=O)(=O)C1CCCC1)c1ccccc1C
InChIInChI=1S/C17H27NO2S/c1-3-12-18-17(16-11-7-4-8-14(16)2)13-21(19,20)15-9-5-6-10-15/h4,7-8,11,15,17-18H,3,5-6,9-10,12-13H2,1-2H3
InChIKeyUQFDJCJLIPUTIM-UHFFFAOYSA-N
MW309.47 g/mol
LogP3.39
Rot. Bonds7

About N-[2-cyclopentylsulfonyl-1-(2-methylphenyl)ethyl]propan-1-amine

N-[2-cyclopentylsulfonyl-1-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 64675083) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is N-[2-cyclopentylsulfonyl-1-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-cyclopentylsulfonyl-1-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID64675083
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC NameN-[2-cyclopentylsulfonyl-1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CS(=O)(=O)C1CCCC1)c1ccccc1C
InChIInChI=1S/C17H27NO2S/c1-3-12-18-17(16-11-7-4-8-14(16)2)13-21(19,20)15-9-5-6-10-15/h4,7-8,11,15,17-18H,3,5-6,9-10,12-13H2,1-2H3
InChIKeyUQFDJCJLIPUTIM-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentylsulfonyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 64674888
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine
CID 115794758
N-[2-(3-methylbutylsulfonyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 107760339
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
N-[cyclobutyl-(2-methylphenyl)methyl]propan-1-amine
CID 64984085
N'-(cyclobutylmethyl)-N'-ethyl-1-(2-methylphenyl)-N-propylethane-1,2-diamine
CID 107398055
N-[2-hexoxy-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63474742
3-[2-(2-methylphenyl)-2-(propylamino)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835277
N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115847405
2-cyclohexylsulfonyl-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 64675399
2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 55110608

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentylsulfonyl-1-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-cyclopentylsulfonyl-1-(2-methylphenyl)ethyl]propan-1-amine (CID 64675083) is N-[2-cyclopentylsulfonyl-1-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-cyclopentylsulfonyl-1-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-cyclopentylsulfonyl-1-(2-methylphenyl)ethyl]propan-1-amine is CCCNC(CS(=O)(=O)C1CCCC1)c1ccccc1C.
What is the InChIKey of N-[2-cyclopentylsulfonyl-1-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is UQFDJCJLIPUTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-3-12-18-17(16-11-7-4-8-14(16)2)13-21(19,20)15-9-5-6-10-15/h4,7-8,11,15,17-18H,3,5-6,9-10,12-13H2,1-2H3.
What are the key properties of N-[2-cyclopentylsulfonyl-1-(2-methylphenyl)ethyl]propan-1-amine?
N-[2-cyclopentylsulfonyl-1-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 309.47 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentylsulfonyl-1-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 64675083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).