4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine

C13H21NO2S — CID 65017432

IUPAC4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine
SMILESCCS(=O)(=O)CCC(N)Cc1ccccc1C
InChIInChI=1S/C13H21NO2S/c1-3-17(15,16)9-8-13(14)10-12-7-5-4-6-11(12)2/h4-7,13H,3,8-10,14H2,1-2H3
InChIKeyNAMYEQTZBLLUIZ-UHFFFAOYSA-N
MW255.38 g/mol
LogP1.69
Rot. Bonds6

About 4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine

4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine (PubChem CID 65017432) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine
PubChem CID65017432
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine
SMILESCCS(=O)(=O)CCC(N)Cc1ccccc1C
InChIInChI=1S/C13H21NO2S/c1-3-17(15,16)9-8-13(14)10-12-7-5-4-6-11(12)2/h4-7,13H,3,8-10,14H2,1-2H3
InChIKeyNAMYEQTZBLLUIZ-UHFFFAOYSA-N
XLogP1.69
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine
CID 65017932
4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine
CID 65017667
5-methyl-1-(2-methylphenyl)hexan-2-amine
CID 61077626
5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 65096858
7-(2-methylphenyl)heptane-1,6-diamine
CID 154389351
5-ethylsulfonyl-N-methyl-1-(2-methylphenyl)pentan-2-amine
CID 65095703
1-ethyl-2-methylbenzene;sulfamide
CID 67800161
5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentanoic acid
CID 65098146
1-(2-methylphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105092013
(3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride
CID 24820268
[6-ethylsulfonyl-1-(2-methylphenyl)hexan-3-yl]hydrazine
CID 105310803
1-(2-methoxyphenyl)-4-methylsulfonylbutan-2-amine
CID 62600844

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine?
The IUPAC name of 4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine (CID 65017432) is 4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine.
What is the SMILES notation for 4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine?
The canonical SMILES for 4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine is CCS(=O)(=O)CCC(N)Cc1ccccc1C.
What is the InChIKey of 4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine?
The InChIKey is NAMYEQTZBLLUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-3-17(15,16)9-8-13(14)10-12-7-5-4-6-11(12)2/h4-7,13H,3,8-10,14H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine?
4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine has a molecular weight of 255.38 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine is sourced from PubChem (CID 65017432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).