(3-ethoxythietan-3-yl)methanamine

C6H13NOS — CID 115011733

IUPAC(3-ethoxythietan-3-yl)methanamine
SMILESCCOC1(CN)CSC1
InChIInChI=1S/C6H13NOS/c1-2-8-6(3-7)4-9-5-6/h2-5,7H2,1H3
InChIKeyMEZIBCUHRYASKU-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.47
Rot. Bonds3

About (3-ethoxythietan-3-yl)methanamine

(3-ethoxythietan-3-yl)methanamine (PubChem CID 115011733) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is (3-ethoxythietan-3-yl)methanamine.

Molecular Properties

Compound Name(3-ethoxythietan-3-yl)methanamine
PubChem CID115011733
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name(3-ethoxythietan-3-yl)methanamine
SMILESCCOC1(CN)CSC1
InChIInChI=1S/C6H13NOS/c1-2-8-6(3-7)4-9-5-6/h2-5,7H2,1H3
InChIKeyMEZIBCUHRYASKU-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxythietan-3-yl)methanamine?
The IUPAC name of (3-ethoxythietan-3-yl)methanamine (CID 115011733) is (3-ethoxythietan-3-yl)methanamine.
What is the SMILES notation for (3-ethoxythietan-3-yl)methanamine?
The canonical SMILES for (3-ethoxythietan-3-yl)methanamine is CCOC1(CN)CSC1.
What is the InChIKey of (3-ethoxythietan-3-yl)methanamine?
The InChIKey is MEZIBCUHRYASKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-2-8-6(3-7)4-9-5-6/h2-5,7H2,1H3.
What are the key properties of (3-ethoxythietan-3-yl)methanamine?
(3-ethoxythietan-3-yl)methanamine has a molecular weight of 147.24 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxythietan-3-yl)methanamine is sourced from PubChem (CID 115011733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).