5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine

C15H25NO2S — CID 65096858

IUPAC5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine
SMILESCCS(=O)(=O)CCCC(CN)Cc1ccccc1C
InChIInChI=1S/C15H25NO2S/c1-3-19(17,18)10-6-8-14(12-16)11-15-9-5-4-7-13(15)2/h4-5,7,9,14H,3,6,8,10-12,16H2,1-2H3
InChIKeyJREOWCAAPCENIG-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.33
Rot. Bonds8

About 5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine

5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine (PubChem CID 65096858) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine
PubChem CID65096858
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine
SMILESCCS(=O)(=O)CCCC(CN)Cc1ccccc1C
InChIInChI=1S/C15H25NO2S/c1-3-19(17,18)10-6-8-14(12-16)11-15-9-5-4-7-13(15)2/h4-5,7,9,14H,3,6,8,10-12,16H2,1-2H3
InChIKeyJREOWCAAPCENIG-UHFFFAOYSA-N
XLogP2.33
TPSA60.16 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 ≤ 52.33
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-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentanoic acid
CID 65098146
4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine
CID 65017432
4-(aminomethyl)-5-(2-methylphenyl)pentanoic acid
CID 112517831
2-[(2-bromophenyl)methyl]-5-methylsulfonylpentan-1-amine
CID 63195597
[6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine
CID 105310803
2-[(2-bromophenyl)methyl]-5-ethylsulfonylpentan-1-ol
CID 66039051
5-ethylsulfonyl-2-[(4-methoxyphenyl)methyl]pentan-1-amine
CID 65097604
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
2-[(4-ethylphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 63496886
2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984194
1-[2-(bromomethyl)-5-ethylsulfonylpentyl]-2-methoxybenzene
CID 66041761

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine?
The IUPAC name of 5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine (CID 65096858) is 5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine.
What is the SMILES notation for 5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine?
The canonical SMILES for 5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine is CCS(=O)(=O)CCCC(CN)Cc1ccccc1C.
What is the InChIKey of 5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine?
The InChIKey is JREOWCAAPCENIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-3-19(17,18)10-6-8-14(12-16)11-15-9-5-4-7-13(15)2/h4-5,7,9,14H,3,6,8,10-12,16H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine?
5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine is sourced from PubChem (CID 65096858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).