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

C13H21NO3S — CID 65017667

IUPAC4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine
SMILESCCS(=O)(=O)CCC(N)Cc1ccccc1OC
InChIInChI=1S/C13H21NO3S/c1-3-18(15,16)9-8-12(14)10-11-6-4-5-7-13(11)17-2/h4-7,12H,3,8-10,14H2,1-2H3
InChIKeyYOKORPQMUILYSG-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.39
Rot. Bonds7

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

4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine (PubChem CID 65017667) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine
PubChem CID65017667
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine
SMILESCCS(=O)(=O)CCC(N)Cc1ccccc1OC
InChIInChI=1S/C13H21NO3S/c1-3-18(15,16)9-8-12(14)10-11-6-4-5-7-13(11)17-2/h4-7,12H,3,8-10,14H2,1-2H3
InChIKeyYOKORPQMUILYSG-UHFFFAOYSA-N
XLogP1.39
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-4-methylsulfonylbutan-2-amine
CID 62600844
4-ethylsulfonyl-1-(2-methylphenyl)butan-2-amine
CID 65017432
4-(2-methoxyphenyl)butane-1,3-diamine
CID 154072972
1-(2-chlorophenyl)-4-ethylsulfonylbutan-2-amine
CID 65017932
2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-amine
CID 106729586
1-N,1-N-diethyl-4-(2-methoxyphenyl)butane-1,3-diamine
CID 79087707
1-[2-(bromomethyl)-5-ethylsulfonylpentyl]-2-methoxybenzene
CID 66041761
2-[(2-methoxyphenyl)methyl]-4-propylsulfonylbutan-1-ol
CID 106734391
1-[2-(chloromethyl)-4-propylsulfonylbutyl]-2-methoxybenzene
CID 106734545
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-(2-methoxyphenyl)-3-propylsulfanylpropan-2-amine
CID 65128844

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine?
The IUPAC name of 4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine (CID 65017667) is 4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine?
The canonical SMILES for 4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine is CCS(=O)(=O)CCC(N)Cc1ccccc1OC.
What is the InChIKey of 4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine?
The InChIKey is YOKORPQMUILYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-3-18(15,16)9-8-12(14)10-11-6-4-5-7-13(11)17-2/h4-7,12H,3,8-10,14H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine?
4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine has a molecular weight of 271.38 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(2-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 65017667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).