1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine

C14H23NO2S2 — CID 106848542

IUPAC1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine
SMILESCCSc1ccc(C(N)CCCS(=O)(=O)CC)cc1
InChIInChI=1S/C14H23NO2S2/c1-3-18-13-9-7-12(8-10-13)14(15)6-5-11-19(16,17)4-2/h7-10,14H,3-6,11,15H2,1-2H3
InChIKeyYDVNGGLRAGMXCA-UHFFFAOYSA-N
MW301.48 g/mol
LogP3.01
Rot. Bonds8

About 1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine

1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine (PubChem CID 106848542) has the molecular formula C14H23NO2S2 and a molecular weight of 301.48 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine
PubChem CID106848542
Molecular FormulaC14H23NO2S2
Molecular Weight301.48 g/mol
Exact Mass301.12
IUPAC Name1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine
SMILESCCSc1ccc(C(N)CCCS(=O)(=O)CC)cc1
InChIInChI=1S/C14H23NO2S2/c1-3-18-13-9-7-12(8-10-13)14(15)6-5-11-19(16,17)4-2/h7-10,14H,3-6,11,15H2,1-2H3
InChIKeyYDVNGGLRAGMXCA-UHFFFAOYSA-N
XLogP3.01
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylsulfanylphenyl)-4-methylsulfonylbutan-1-amine
CID 115820927
1-(4-ethylsulfanylphenyl)hex-5-yn-1-amine
CID 106848699
1-(6-bromonaphthalen-2-yl)-4-ethylsulfonylbutan-1-amine
CID 104986238
1-(3-chlorophenyl)-4-ethylsulfonylbutan-1-amine
CID 65095643
1-(4-ethylsulfanylphenyl)-3-methylsulfanylpropan-1-amine
CID 116831553
4-ethylsulfonyl-1-(5-methylfuran-3-yl)butan-1-amine
CID 115865315
1-(4-ethylsulfanylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112518298
1-(4-ethylsulfanylphenyl)pent-4-en-1-amine
CID 106848528
4-ethylsulfonyl-1-pyrimidin-5-ylbutan-1-amine
CID 102923473
2-amino-2-(4-ethylsulfanylphenyl)ethanol
CID 77129802
4-ethylsulfonyl-1-(3-fluoro-4-methoxyphenyl)butan-1-amine
CID 104986185
(4-ethylsulfanylphenyl)methanediamine
CID 116939199

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine (CID 106848542) is 1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine is CCSc1ccc(C(N)CCCS(=O)(=O)CC)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine?
The InChIKey is YDVNGGLRAGMXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S2/c1-3-18-13-9-7-12(8-10-13)14(15)6-5-11-19(16,17)4-2/h7-10,14H,3-6,11,15H2,1-2H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine?
1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine has a molecular weight of 301.48 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-4-ethylsulfonylbutan-1-amine is sourced from PubChem (CID 106848542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).