[3-(methoxymethyl)thietan-3-yl]methanamine

C6H13NOS — CID 83905009

IUPAC[3-(methoxymethyl)thietan-3-yl]methanamine
SMILESCOCC1(CN)CSC1
InChIInChI=1S/C6H13NOS/c1-8-3-6(2-7)4-9-5-6/h2-5,7H2,1H3
InChIKeyRFUIKHSEJIADGM-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.32
Rot. Bonds3

About [3-(methoxymethyl)thietan-3-yl]methanamine

[3-(methoxymethyl)thietan-3-yl]methanamine (PubChem CID 83905009) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is [3-(methoxymethyl)thietan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(methoxymethyl)thietan-3-yl]methanamine
PubChem CID83905009
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name[3-(methoxymethyl)thietan-3-yl]methanamine
SMILESCOCC1(CN)CSC1
InChIInChI=1S/C6H13NOS/c1-8-3-6(2-7)4-9-5-6/h2-5,7H2,1H3
InChIKeyRFUIKHSEJIADGM-UHFFFAOYSA-N
XLogP0.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)thietan-3-yl]methanamine?
The IUPAC name of [3-(methoxymethyl)thietan-3-yl]methanamine (CID 83905009) is [3-(methoxymethyl)thietan-3-yl]methanamine.
What is the SMILES notation for [3-(methoxymethyl)thietan-3-yl]methanamine?
The canonical SMILES for [3-(methoxymethyl)thietan-3-yl]methanamine is COCC1(CN)CSC1.
What is the InChIKey of [3-(methoxymethyl)thietan-3-yl]methanamine?
The InChIKey is RFUIKHSEJIADGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-8-3-6(2-7)4-9-5-6/h2-5,7H2,1H3.
What are the key properties of [3-(methoxymethyl)thietan-3-yl]methanamine?
[3-(methoxymethyl)thietan-3-yl]methanamine has a molecular weight of 147.24 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)thietan-3-yl]methanamine is sourced from PubChem (CID 83905009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).