2,4,4-trimethyl-N-(2-methylsulfonylethyl)pentan-2-amine

C11H25NO2S — CID 60975136

IUPAC2,4,4-trimethyl-N-(2-methylsulfonylethyl)pentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCCS(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-10(2,3)9-11(4,5)12-7-8-15(6,13)14/h12H,7-9H2,1-6H3
InChIKeyRUQQWADYMXHRLI-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.84
Rot. Bonds5

About 2,4,4-trimethyl-N-(2-methylsulfonylethyl)pentan-2-amine

2,4,4-trimethyl-N-(2-methylsulfonylethyl)pentan-2-amine (PubChem CID 60975136) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(2-methylsulfonylethyl)pentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(2-methylsulfonylethyl)pentan-2-amine
PubChem CID60975136
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name2,4,4-trimethyl-N-(2-methylsulfonylethyl)pentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCCS(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-10(2,3)9-11(4,5)12-7-8-15(6,13)14/h12H,7-9H2,1-6H3
InChIKeyRUQQWADYMXHRLI-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(2-methylsulfonylethyl)pentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-(2-methylsulfonylethyl)pentan-2-amine (CID 60975136) is 2,4,4-trimethyl-N-(2-methylsulfonylethyl)pentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(2-methylsulfonylethyl)pentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(2-methylsulfonylethyl)pentan-2-amine is CC(C)(C)CC(C)(C)NCCS(C)(=O)=O.
What is the InChIKey of 2,4,4-trimethyl-N-(2-methylsulfonylethyl)pentan-2-amine?
The InChIKey is RUQQWADYMXHRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-10(2,3)9-11(4,5)12-7-8-15(6,13)14/h12H,7-9H2,1-6H3.
What are the key properties of 2,4,4-trimethyl-N-(2-methylsulfonylethyl)pentan-2-amine?
2,4,4-trimethyl-N-(2-methylsulfonylethyl)pentan-2-amine has a molecular weight of 235.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(2-methylsulfonylethyl)pentan-2-amine is sourced from PubChem (CID 60975136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).