2-methylsulfonyl-1-(2,4,6-triethylphenyl)propan-1-amine

C16H27NO2S — CID 104519089

IUPAC2-methylsulfonyl-1-(2,4,6-triethylphenyl)propan-1-amine
SMILESCCc1cc(CC)c(C(N)C(C)S(C)(=O)=O)c(CC)c1
InChIInChI=1S/C16H27NO2S/c1-6-12-9-13(7-2)15(14(8-3)10-12)16(17)11(4)20(5,18)19/h9-11,16H,6-8,17H2,1-5H3
InChIKeyMPYNEFLCWNFNHW-UHFFFAOYSA-N
MW297.46 g/mol
LogP2.81
Rot. Bonds6

About 2-methylsulfonyl-1-(2,4,6-triethylphenyl)propan-1-amine

2-methylsulfonyl-1-(2,4,6-triethylphenyl)propan-1-amine (PubChem CID 104519089) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(2,4,6-triethylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-1-(2,4,6-triethylphenyl)propan-1-amine
PubChem CID104519089
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name2-methylsulfonyl-1-(2,4,6-triethylphenyl)propan-1-amine
SMILESCCc1cc(CC)c(C(N)C(C)S(C)(=O)=O)c(CC)c1
InChIInChI=1S/C16H27NO2S/c1-6-12-9-13(7-2)15(14(8-3)10-12)16(17)11(4)20(5,18)19/h9-11,16H,6-8,17H2,1-5H3
InChIKeyMPYNEFLCWNFNHW-UHFFFAOYSA-N
XLogP2.81
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(2,4,6-triethylphenyl)propan-1-amine?
The IUPAC name of 2-methylsulfonyl-1-(2,4,6-triethylphenyl)propan-1-amine (CID 104519089) is 2-methylsulfonyl-1-(2,4,6-triethylphenyl)propan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-1-(2,4,6-triethylphenyl)propan-1-amine?
The canonical SMILES for 2-methylsulfonyl-1-(2,4,6-triethylphenyl)propan-1-amine is CCc1cc(CC)c(C(N)C(C)S(C)(=O)=O)c(CC)c1.
What is the InChIKey of 2-methylsulfonyl-1-(2,4,6-triethylphenyl)propan-1-amine?
The InChIKey is MPYNEFLCWNFNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-6-12-9-13(7-2)15(14(8-3)10-12)16(17)11(4)20(5,18)19/h9-11,16H,6-8,17H2,1-5H3.
What are the key properties of 2-methylsulfonyl-1-(2,4,6-triethylphenyl)propan-1-amine?
2-methylsulfonyl-1-(2,4,6-triethylphenyl)propan-1-amine has a molecular weight of 297.46 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(2,4,6-triethylphenyl)propan-1-amine is sourced from PubChem (CID 104519089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).