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

C10H23NO3S — CID 60920039

IUPAC4-methoxy-4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCS(C)(=O)=O
InChIInChI=1S/C10H23NO3S/c1-9(8-10(2,3)14-4)11-6-7-15(5,12)13/h9,11H,6-8H2,1-5H3
InChIKeyRSUPVBGIBNXUCY-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.82
Rot. Bonds7

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

4-methoxy-4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine (PubChem CID 60920039) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine
PubChem CID60920039
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name4-methoxy-4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCS(C)(=O)=O
InChIInChI=1S/C10H23NO3S/c1-9(8-10(2,3)14-4)11-6-7-15(5,12)13/h9,11H,6-8H2,1-5H3
InChIKeyRSUPVBGIBNXUCY-UHFFFAOYSA-N
XLogP0.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.82
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-methylsulfonylethyl)pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine (CID 60920039) is 4-methoxy-4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine is COC(C)(C)CC(C)NCCS(C)(=O)=O.
What is the InChIKey of 4-methoxy-4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine?
The InChIKey is RSUPVBGIBNXUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-9(8-10(2,3)14-4)11-6-7-15(5,12)13/h9,11H,6-8H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine?
4-methoxy-4-methyl-N-(2-methylsulfonylethyl)pentan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 0.82, 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-methylsulfonylethyl)pentan-2-amine is sourced from PubChem (CID 60920039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).