2-ethoxy-3-(oxan-4-ylsulfanyl)propan-1-amine

C10H21NO2S — CID 63072556

IUPAC2-ethoxy-3-(oxan-4-ylsulfanyl)propan-1-amine
SMILESCCOC(CN)CSC1CCOCC1
InChIInChI=1S/C10H21NO2S/c1-2-13-9(7-11)8-14-10-3-5-12-6-4-10/h9-10H,2-8,11H2,1H3
InChIKeyMEHHVOICBUQWOF-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.26
Rot. Bonds6

About 2-ethoxy-3-(oxan-4-ylsulfanyl)propan-1-amine

2-ethoxy-3-(oxan-4-ylsulfanyl)propan-1-amine (PubChem CID 63072556) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-ethoxy-3-(oxan-4-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(oxan-4-ylsulfanyl)propan-1-amine
PubChem CID63072556
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-ethoxy-3-(oxan-4-ylsulfanyl)propan-1-amine
SMILESCCOC(CN)CSC1CCOCC1
InChIInChI=1S/C10H21NO2S/c1-2-13-9(7-11)8-14-10-3-5-12-6-4-10/h9-10H,2-8,11H2,1H3
InChIKeyMEHHVOICBUQWOF-UHFFFAOYSA-N
XLogP1.26
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(oxan-4-ylsulfanyl)propan-1-amine?
The IUPAC name of 2-ethoxy-3-(oxan-4-ylsulfanyl)propan-1-amine (CID 63072556) is 2-ethoxy-3-(oxan-4-ylsulfanyl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(oxan-4-ylsulfanyl)propan-1-amine?
The canonical SMILES for 2-ethoxy-3-(oxan-4-ylsulfanyl)propan-1-amine is CCOC(CN)CSC1CCOCC1.
What is the InChIKey of 2-ethoxy-3-(oxan-4-ylsulfanyl)propan-1-amine?
The InChIKey is MEHHVOICBUQWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-2-13-9(7-11)8-14-10-3-5-12-6-4-10/h9-10H,2-8,11H2,1H3.
What are the key properties of 2-ethoxy-3-(oxan-4-ylsulfanyl)propan-1-amine?
2-ethoxy-3-(oxan-4-ylsulfanyl)propan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(oxan-4-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 63072556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).