4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine

C11H25NO2S — CID 79551975

IUPAC4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine
SMILESCC(C)CC(C)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-9(2)7-10(3)12-8-11(4,5)15(6,13)14/h9-10,12H,7-8H2,1-6H3
InChIKeyRGPNPZBZKGGAKI-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.83
Rot. Bonds6

About 4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine

4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine (PubChem CID 79551975) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine
PubChem CID79551975
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine
SMILESCC(C)CC(C)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H25NO2S/c1-9(2)7-10(3)12-8-11(4,5)15(6,13)14/h9-10,12H,7-8H2,1-6H3
InChIKeyRGPNPZBZKGGAKI-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine?
The IUPAC name of 4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine (CID 79551975) is 4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine.
What is the SMILES notation for 4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine?
The canonical SMILES for 4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine is CC(C)CC(C)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine?
The InChIKey is RGPNPZBZKGGAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-9(2)7-10(3)12-8-11(4,5)15(6,13)14/h9-10,12H,7-8H2,1-6H3.
What are the key properties of 4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine?
4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine has a molecular weight of 235.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine is sourced from PubChem (CID 79551975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).