N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine

C16H27NO2S — CID 79421716

IUPACN-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine
SMILESCCNCC(CCCS(=O)(=O)CC)c1ccccc1C
InChIInChI=1S/C16H27NO2S/c1-4-17-13-15(10-8-12-20(18,19)5-2)16-11-7-6-9-14(16)3/h6-7,9,11,15,17H,4-5,8,10,12-13H2,1-3H3
InChIKeyLEZATDFTZYSQRX-UHFFFAOYSA-N
MW297.46 g/mol
LogP2.90
Rot. Bonds9

About N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine

N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine (PubChem CID 79421716) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine
PubChem CID79421716
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC NameN-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine
SMILESCCNCC(CCCS(=O)(=O)CC)c1ccccc1C
InChIInChI=1S/C16H27NO2S/c1-4-17-13-15(10-8-12-20(18,19)5-2)16-11-7-6-9-14(16)3/h6-7,9,11,15,17H,4-5,8,10,12-13H2,1-3H3
InChIKeyLEZATDFTZYSQRX-UHFFFAOYSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-methylphenyl)hexan-1-amine
CID 79421796
2-(2-chlorophenyl)-5-ethylsulfonyl-N-propylpentan-1-amine
CID 79436264
2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 79421507
N-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine
CID 79423694
2-(2-methylphenyl)-4-propan-2-ylsulfonyl-N-propylbutan-1-amine
CID 106730104
N,4-diethyl-2-(2-methylphenyl)hexan-1-amine
CID 82929523
3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 79423679
N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79421243
5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 79434387
3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine
CID 65092891
2-(2-chlorophenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 79449274
N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine
CID 79439132

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine?
The IUPAC name of N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine (CID 79421716) is N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine?
The canonical SMILES for N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine is CCNCC(CCCS(=O)(=O)CC)c1ccccc1C.
What is the InChIKey of N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine?
The InChIKey is LEZATDFTZYSQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-4-17-13-15(10-8-12-20(18,19)5-2)16-11-7-6-9-14(16)3/h6-7,9,11,15,17H,4-5,8,10,12-13H2,1-3H3.
What are the key properties of N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine?
N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine has a molecular weight of 297.46 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine is sourced from PubChem (CID 79421716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).