N-methyl-2-(2-methylpropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine

C16H27NOS — CID 64652449

IUPACN-methyl-2-(2-methylpropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(CS(=O)CC(C)C)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H27NOS/c1-11(2)9-19(18)10-15(17-6)16-13(4)7-12(3)8-14(16)5/h7-8,11,15,17H,9-10H2,1-6H3
InChIKeyWUOPMPOYQQEHGH-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.28
Rot. Bonds6

About N-methyl-2-(2-methylpropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine

N-methyl-2-(2-methylpropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 64652449) has the molecular formula C16H27NOS and a molecular weight of 281.47 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID64652449
Molecular FormulaC16H27NOS
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC NameN-methyl-2-(2-methylpropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(CS(=O)CC(C)C)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H27NOS/c1-11(2)9-19(18)10-15(17-6)16-13(4)7-12(3)8-14(16)5/h7-8,11,15,17H,9-10H2,1-6H3
InChIKeyWUOPMPOYQQEHGH-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-methyl-2-(2-methylpropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine (CID 64652449) is N-methyl-2-(2-methylpropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylpropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methylpropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine is CNC(CS(=O)CC(C)C)c1c(C)cc(C)cc1C.
What is the InChIKey of N-methyl-2-(2-methylpropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is WUOPMPOYQQEHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-11(2)9-19(18)10-15(17-6)16-13(4)7-12(3)8-14(16)5/h7-8,11,15,17H,9-10H2,1-6H3.
What are the key properties of N-methyl-2-(2-methylpropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine?
N-methyl-2-(2-methylpropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 281.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 64652449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).