1-(2-methoxy-5-methylphenyl)-2-thiophen-2-ylsulfinylethanamine

C14H17NO2S2 — CID 64652177

IUPAC1-(2-methoxy-5-methylphenyl)-2-thiophen-2-ylsulfinylethanamine
SMILESCOc1ccc(C)cc1C(N)CS(=O)c1cccs1
InChIInChI=1S/C14H17NO2S2/c1-10-5-6-13(17-2)11(8-10)12(15)9-19(16)14-4-3-7-18-14/h3-8,12H,9,15H2,1-2H3
InChIKeyFVAXGOOHSIEPCS-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.87
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-2-thiophen-2-ylsulfinylethanamine

1-(2-methoxy-5-methylphenyl)-2-thiophen-2-ylsulfinylethanamine (PubChem CID 64652177) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-thiophen-2-ylsulfinylethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-thiophen-2-ylsulfinylethanamine
PubChem CID64652177
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-thiophen-2-ylsulfinylethanamine
SMILESCOc1ccc(C)cc1C(N)CS(=O)c1cccs1
InChIInChI=1S/C14H17NO2S2/c1-10-5-6-13(17-2)11(8-10)12(15)9-19(16)14-4-3-7-18-14/h3-8,12H,9,15H2,1-2H3
InChIKeyFVAXGOOHSIEPCS-UHFFFAOYSA-N
XLogP2.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-propylsulfinylethanamine
CID 64653186
1-(2-methoxy-5-methylphenyl)-2-(2-methylsulfonylethylsulfinyl)ethanamine
CID 64674922
1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine
CID 107760481
1-(2-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfinylethanamine
CID 64651150
1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone
CID 64640483
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
5-amino-5-(2-methoxy-5-methylphenyl)pentanamide
CID 54927575
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
1-(2-methoxy-5-methylphenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115860856
1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 61376925
1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16785142
3-amino-3-(2-methoxy-5-methylphenyl)propanehydrazide
CID 116848730

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-thiophen-2-ylsulfinylethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-thiophen-2-ylsulfinylethanamine (CID 64652177) is 1-(2-methoxy-5-methylphenyl)-2-thiophen-2-ylsulfinylethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-thiophen-2-ylsulfinylethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-thiophen-2-ylsulfinylethanamine is COc1ccc(C)cc1C(N)CS(=O)c1cccs1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-thiophen-2-ylsulfinylethanamine?
The InChIKey is FVAXGOOHSIEPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-10-5-6-13(17-2)11(8-10)12(15)9-19(16)14-4-3-7-18-14/h3-8,12H,9,15H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-thiophen-2-ylsulfinylethanamine?
1-(2-methoxy-5-methylphenyl)-2-thiophen-2-ylsulfinylethanamine has a molecular weight of 295.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-thiophen-2-ylsulfinylethanamine is sourced from PubChem (CID 64652177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).