3-ethoxythian-4-amine

C7H15NOS — CID 82415370

IUPAC3-ethoxythian-4-amine
SMILESCCOC1CSCCC1N
InChIInChI=1S/C7H15NOS/c1-2-9-7-5-10-4-3-6(7)8/h6-7H,2-5,8H2,1H3
InChIKeyKOLMPVSBNSXTBY-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.86
Rot. Bonds2

About 3-ethoxythian-4-amine

3-ethoxythian-4-amine (PubChem CID 82415370) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 3-ethoxythian-4-amine.

Molecular Properties

Compound Name3-ethoxythian-4-amine
PubChem CID82415370
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name3-ethoxythian-4-amine
SMILESCCOC1CSCCC1N
InChIInChI=1S/C7H15NOS/c1-2-9-7-5-10-4-3-6(7)8/h6-7H,2-5,8H2,1H3
InChIKeyKOLMPVSBNSXTBY-UHFFFAOYSA-N
XLogP0.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethoxythian-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethoxythian-4-amine?
The IUPAC name of 3-ethoxythian-4-amine (CID 82415370) is 3-ethoxythian-4-amine.
What is the SMILES notation for 3-ethoxythian-4-amine?
The canonical SMILES for 3-ethoxythian-4-amine is CCOC1CSCCC1N.
What is the InChIKey of 3-ethoxythian-4-amine?
The InChIKey is KOLMPVSBNSXTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-2-9-7-5-10-4-3-6(7)8/h6-7H,2-5,8H2,1H3.
What are the key properties of 3-ethoxythian-4-amine?
3-ethoxythian-4-amine has a molecular weight of 161.27 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxythian-4-amine is sourced from PubChem (CID 82415370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).