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

C12H27NO3S — CID 79552226

IUPAC4-methoxy-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H27NO3S/c1-10(8-11(2,3)16-6)13-9-12(4,5)17(7,14)15/h10,13H,8-9H2,1-7H3
InChIKeyHTOGBZOJFAKYJQ-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.60
Rot. Bonds7

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

4-methoxy-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine (PubChem CID 79552226) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine
PubChem CID79552226
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC Name4-methoxy-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H27NO3S/c1-10(8-11(2,3)16-6)13-9-12(4,5)17(7,14)15/h10,13H,8-9H2,1-7H3
InChIKeyHTOGBZOJFAKYJQ-UHFFFAOYSA-N
XLogP1.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine (CID 79552226) is 4-methoxy-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine is COC(C)(C)CC(C)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 4-methoxy-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine?
The InChIKey is HTOGBZOJFAKYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-10(8-11(2,3)16-6)13-9-12(4,5)17(7,14)15/h10,13H,8-9H2,1-7H3.
What are the key properties of 4-methoxy-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine?
4-methoxy-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine has a molecular weight of 265.42 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-(2-methyl-2-methylsulfonylpropyl)pentan-2-amine is sourced from PubChem (CID 79552226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).