3-methoxy-3-methyl-N-(3-methylsulfinylpropyl)butan-1-amine

C10H23NO2S — CID 103033612

IUPAC3-methoxy-3-methyl-N-(3-methylsulfinylpropyl)butan-1-amine
SMILESCOC(C)(C)CCNCCCS(C)=O
InChIInChI=1S/C10H23NO2S/c1-10(2,13-3)6-8-11-7-5-9-14(4)12/h11H,5-9H2,1-4H3
InChIKeyWCRIZZKQLXHMMI-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.16
Rot. Bonds8

About 3-methoxy-3-methyl-N-(3-methylsulfinylpropyl)butan-1-amine

3-methoxy-3-methyl-N-(3-methylsulfinylpropyl)butan-1-amine (PubChem CID 103033612) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-(3-methylsulfinylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-(3-methylsulfinylpropyl)butan-1-amine
PubChem CID103033612
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name3-methoxy-3-methyl-N-(3-methylsulfinylpropyl)butan-1-amine
SMILESCOC(C)(C)CCNCCCS(C)=O
InChIInChI=1S/C10H23NO2S/c1-10(2,13-3)6-8-11-7-5-9-14(4)12/h11H,5-9H2,1-4H3
InChIKeyWCRIZZKQLXHMMI-UHFFFAOYSA-N
XLogP1.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-methoxy-3-methyl-N-(3-methylsulfinylpropyl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-(3-methylsulfinylpropyl)butan-1-amine (CID 103033612) is 3-methoxy-3-methyl-N-(3-methylsulfinylpropyl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-(3-methylsulfinylpropyl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-(3-methylsulfinylpropyl)butan-1-amine is COC(C)(C)CCNCCCS(C)=O.
What is the InChIKey of 3-methoxy-3-methyl-N-(3-methylsulfinylpropyl)butan-1-amine?
The InChIKey is WCRIZZKQLXHMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-10(2,13-3)6-8-11-7-5-9-14(4)12/h11H,5-9H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-N-(3-methylsulfinylpropyl)butan-1-amine?
3-methoxy-3-methyl-N-(3-methylsulfinylpropyl)butan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-(3-methylsulfinylpropyl)butan-1-amine is sourced from PubChem (CID 103033612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).