[1-(2-methylsulfinylethyl)azetidin-2-yl]methanamine

C7H16N2OS — CID 84655746

IUPAC[1-(2-methylsulfinylethyl)azetidin-2-yl]methanamine
SMILESCS(=O)CCN1CCC1CN
InChIInChI=1S/C7H16N2OS/c1-11(10)5-4-9-3-2-7(9)6-8/h7H,2-6,8H2,1H3
InChIKeyDOVSLPIOQIYGAN-UHFFFAOYSA-N
MW176.28 g/mol
LogP-0.60
Rot. Bonds4

About [1-(2-methylsulfinylethyl)azetidin-2-yl]methanamine

[1-(2-methylsulfinylethyl)azetidin-2-yl]methanamine (PubChem CID 84655746) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is [1-(2-methylsulfinylethyl)azetidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methylsulfinylethyl)azetidin-2-yl]methanamine
PubChem CID84655746
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name[1-(2-methylsulfinylethyl)azetidin-2-yl]methanamine
SMILESCS(=O)CCN1CCC1CN
InChIInChI=1S/C7H16N2OS/c1-11(10)5-4-9-3-2-7(9)6-8/h7H,2-6,8H2,1H3
InChIKeyDOVSLPIOQIYGAN-UHFFFAOYSA-N
XLogP-0.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylsulfinylethyl)azetidin-2-yl]methanamine?
The IUPAC name of [1-(2-methylsulfinylethyl)azetidin-2-yl]methanamine (CID 84655746) is [1-(2-methylsulfinylethyl)azetidin-2-yl]methanamine.
What is the SMILES notation for [1-(2-methylsulfinylethyl)azetidin-2-yl]methanamine?
The canonical SMILES for [1-(2-methylsulfinylethyl)azetidin-2-yl]methanamine is CS(=O)CCN1CCC1CN.
What is the InChIKey of [1-(2-methylsulfinylethyl)azetidin-2-yl]methanamine?
The InChIKey is DOVSLPIOQIYGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-11(10)5-4-9-3-2-7(9)6-8/h7H,2-6,8H2,1H3.
What are the key properties of [1-(2-methylsulfinylethyl)azetidin-2-yl]methanamine?
[1-(2-methylsulfinylethyl)azetidin-2-yl]methanamine has a molecular weight of 176.28 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylsulfinylethyl)azetidin-2-yl]methanamine is sourced from PubChem (CID 84655746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).