5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine

C15H25NO2S — CID 65095558

IUPAC5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine
SMILESCCS(=O)(=O)CCCC(Cc1ccc(C)cc1)NC
InChIInChI=1S/C15H25NO2S/c1-4-19(17,18)11-5-6-15(16-3)12-14-9-7-13(2)8-10-14/h7-10,15-16H,4-6,11-12H2,1-3H3
InChIKeyJQKRUIVFWSEOEF-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.34
Rot. Bonds8

About 5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine

5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine (PubChem CID 65095558) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine
PubChem CID65095558
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine
SMILESCCS(=O)(=O)CCCC(Cc1ccc(C)cc1)NC
InChIInChI=1S/C15H25NO2S/c1-4-19(17,18)11-5-6-15(16-3)12-14-9-7-13(2)8-10-14/h7-10,15-16H,4-6,11-12H2,1-3H3
InChIKeyJQKRUIVFWSEOEF-UHFFFAOYSA-N
XLogP2.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine
CID 65095703
5-methoxy-N-methyl-1-(4-methylphenyl)pentan-2-amine
CID 62603606
4-(methylamino)-5-(4-methylphenyl)pentanal
CID 144898654
N-methyl-5-methylsulfonyl-1-pyridin-4-ylpentan-2-amine
CID 63192370
5-ethylsulfonyl-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 65095900
5-ethylsulfonyl-N-methyl-1-pyridin-2-ylpentan-2-amine
CID 65096002
2-(methylamino)-3-(4-methylphenyl)propan-1-ol
CID 83529884
N-methyl-1-(4-methylphenyl)-4-propan-2-yloxybutan-2-amine
CID 55093955
5-ethylsulfonyl-N-methyl-1-methylsulfonylpentan-2-amine
CID 115646738
1-(4-iodophenyl)-N-methylhexan-2-amine
CID 79405235
1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 65128454
(4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one
CID 170393708

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine?
The IUPAC name of 5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine (CID 65095558) is 5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine?
The canonical SMILES for 5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine is CCS(=O)(=O)CCCC(Cc1ccc(C)cc1)NC.
What is the InChIKey of 5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine?
The InChIKey is JQKRUIVFWSEOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-4-19(17,18)11-5-6-15(16-3)12-14-9-7-13(2)8-10-14/h7-10,15-16H,4-6,11-12H2,1-3H3.
What are the key properties of 5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine?
5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine has a molecular weight of 283.44 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine is sourced from PubChem (CID 65095558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).