2-(methoxymethylsulfinyl)propan-1-amine

C5H13NO2S — CID 81186668

IUPAC2-(methoxymethylsulfinyl)propan-1-amine
SMILESCOCS(=O)C(C)CN
InChIInChI=1S/C5H13NO2S/c1-5(3-6)9(7)4-8-2/h5H,3-4,6H2,1-2H3
InChIKeyAPWXLJNBBVOUSA-UHFFFAOYSA-N
MW151.23 g/mol
LogP-0.31
Rot. Bonds4

About 2-(methoxymethylsulfinyl)propan-1-amine

2-(methoxymethylsulfinyl)propan-1-amine (PubChem CID 81186668) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 2-(methoxymethylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name2-(methoxymethylsulfinyl)propan-1-amine
PubChem CID81186668
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name2-(methoxymethylsulfinyl)propan-1-amine
SMILESCOCS(=O)C(C)CN
InChIInChI=1S/C5H13NO2S/c1-5(3-6)9(7)4-8-2/h5H,3-4,6H2,1-2H3
InChIKeyAPWXLJNBBVOUSA-UHFFFAOYSA-N
XLogP-0.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethylsulfinyl)propan-1-amine?
The IUPAC name of 2-(methoxymethylsulfinyl)propan-1-amine (CID 81186668) is 2-(methoxymethylsulfinyl)propan-1-amine.
What is the SMILES notation for 2-(methoxymethylsulfinyl)propan-1-amine?
The canonical SMILES for 2-(methoxymethylsulfinyl)propan-1-amine is COCS(=O)C(C)CN.
What is the InChIKey of 2-(methoxymethylsulfinyl)propan-1-amine?
The InChIKey is APWXLJNBBVOUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-5(3-6)9(7)4-8-2/h5H,3-4,6H2,1-2H3.
What are the key properties of 2-(methoxymethylsulfinyl)propan-1-amine?
2-(methoxymethylsulfinyl)propan-1-amine has a molecular weight of 151.23 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethylsulfinyl)propan-1-amine is sourced from PubChem (CID 81186668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).