4-methoxy-4-methyl-N-(3-methylsulfonylpropyl)pentan-2-amine

C11H25NO3S — CID 61020072

IUPAC4-methoxy-4-methyl-N-(3-methylsulfonylpropyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCCS(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-10(9-11(2,3)15-4)12-7-6-8-16(5,13)14/h10,12H,6-9H2,1-5H3
InChIKeyUVZDYQBJQXMWRX-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.21
Rot. Bonds8

About 4-methoxy-4-methyl-N-(3-methylsulfonylpropyl)pentan-2-amine

4-methoxy-4-methyl-N-(3-methylsulfonylpropyl)pentan-2-amine (PubChem CID 61020072) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-(3-methylsulfonylpropyl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-(3-methylsulfonylpropyl)pentan-2-amine
PubChem CID61020072
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name4-methoxy-4-methyl-N-(3-methylsulfonylpropyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCCCS(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-10(9-11(2,3)15-4)12-7-6-8-16(5,13)14/h10,12H,6-9H2,1-5H3
InChIKeyUVZDYQBJQXMWRX-UHFFFAOYSA-N
XLogP1.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-(3-methylsulfonylpropyl)pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-(3-methylsulfonylpropyl)pentan-2-amine (CID 61020072) is 4-methoxy-4-methyl-N-(3-methylsulfonylpropyl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-(3-methylsulfonylpropyl)pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-(3-methylsulfonylpropyl)pentan-2-amine is COC(C)(C)CC(C)NCCCS(C)(=O)=O.
What is the InChIKey of 4-methoxy-4-methyl-N-(3-methylsulfonylpropyl)pentan-2-amine?
The InChIKey is UVZDYQBJQXMWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-10(9-11(2,3)15-4)12-7-6-8-16(5,13)14/h10,12H,6-9H2,1-5H3.
What are the key properties of 4-methoxy-4-methyl-N-(3-methylsulfonylpropyl)pentan-2-amine?
4-methoxy-4-methyl-N-(3-methylsulfonylpropyl)pentan-2-amine has a molecular weight of 251.39 g/mol, XLogP of 1.21, 8 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-(3-methylsulfonylpropyl)pentan-2-amine is sourced from PubChem (CID 61020072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).