N-[1-(2,6-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine

C14H23NO4S — CID 105051943

IUPACN-[1-(2,6-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine
SMILESCCCNC(CS(C)(=O)=O)c1c(OC)cccc1OC
InChIInChI=1S/C14H23NO4S/c1-5-9-15-11(10-20(4,16)17)14-12(18-2)7-6-8-13(14)19-3/h6-8,11,15H,5,9-10H2,1-4H3
InChIKeyAEAYWDXARGFCSX-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.79
Rot. Bonds8

About N-[1-(2,6-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine

N-[1-(2,6-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine (PubChem CID 105051943) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[1-(2,6-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,6-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine
PubChem CID105051943
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-[1-(2,6-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine
SMILESCCCNC(CS(C)(=O)=O)c1c(OC)cccc1OC
InChIInChI=1S/C14H23NO4S/c1-5-9-15-11(10-20(4,16)17)14-12(18-2)7-6-8-13(14)19-3/h6-8,11,15H,5,9-10H2,1-4H3
InChIKeyAEAYWDXARGFCSX-UHFFFAOYSA-N
XLogP1.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,6-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 116810465
1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 116810352
N-[1-(2,5-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine
CID 62785327
1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 116810349
1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine
CID 116810739
N-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine
CID 105018126
N-[1-(3-methylphenyl)-2-methylsulfonylethyl]propan-1-amine
CID 62473096
1-(2,6-dimethoxyphenyl)-N-propylhex-5-yn-1-amine
CID 105034069
N-[1-(2,6-dimethoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015257
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-(2,6-dimethoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 105052111
1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine
CID 116810587

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine?
The IUPAC name of N-[1-(2,6-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine (CID 105051943) is N-[1-(2,6-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,6-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,6-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine is CCCNC(CS(C)(=O)=O)c1c(OC)cccc1OC.
What is the InChIKey of N-[1-(2,6-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine?
The InChIKey is AEAYWDXARGFCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-5-9-15-11(10-20(4,16)17)14-12(18-2)7-6-8-13(14)19-3/h6-8,11,15H,5,9-10H2,1-4H3.
What are the key properties of N-[1-(2,6-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine?
N-[1-(2,6-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine has a molecular weight of 301.41 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine is sourced from PubChem (CID 105051943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).