3-(methoxymethyl)thiolan-3-amine

C6H13NOS — CID 83905010

IUPAC3-(methoxymethyl)thiolan-3-amine
SMILESCOCC1(N)CCSC1
InChIInChI=1S/C6H13NOS/c1-8-4-6(7)2-3-9-5-6/h2-5,7H2,1H3
InChIKeyOFUGGRKJGOANPE-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.47
Rot. Bonds2

About 3-(methoxymethyl)thiolan-3-amine

3-(methoxymethyl)thiolan-3-amine (PubChem CID 83905010) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 3-(methoxymethyl)thiolan-3-amine.

Molecular Properties

Compound Name3-(methoxymethyl)thiolan-3-amine
PubChem CID83905010
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name3-(methoxymethyl)thiolan-3-amine
SMILESCOCC1(N)CCSC1
InChIInChI=1S/C6H13NOS/c1-8-4-6(7)2-3-9-5-6/h2-5,7H2,1H3
InChIKeyOFUGGRKJGOANPE-UHFFFAOYSA-N
XLogP0.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)thiolan-3-amine?
The IUPAC name of 3-(methoxymethyl)thiolan-3-amine (CID 83905010) is 3-(methoxymethyl)thiolan-3-amine.
What is the SMILES notation for 3-(methoxymethyl)thiolan-3-amine?
The canonical SMILES for 3-(methoxymethyl)thiolan-3-amine is COCC1(N)CCSC1.
What is the InChIKey of 3-(methoxymethyl)thiolan-3-amine?
The InChIKey is OFUGGRKJGOANPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-8-4-6(7)2-3-9-5-6/h2-5,7H2,1H3.
What are the key properties of 3-(methoxymethyl)thiolan-3-amine?
3-(methoxymethyl)thiolan-3-amine has a molecular weight of 147.24 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)thiolan-3-amine is sourced from PubChem (CID 83905010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).