4-ethoxythian-3-amine

C7H15NOS — CID 82415371

IUPAC4-ethoxythian-3-amine
SMILESCCOC1CCSCC1N
InChIInChI=1S/C7H15NOS/c1-2-9-7-3-4-10-5-6(7)8/h6-7H,2-5,8H2,1H3
InChIKeyVLVKKEBHCKMMKS-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.86
Rot. Bonds2

About 4-ethoxythian-3-amine

4-ethoxythian-3-amine (PubChem CID 82415371) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 4-ethoxythian-3-amine.

Molecular Properties

Compound Name4-ethoxythian-3-amine
PubChem CID82415371
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name4-ethoxythian-3-amine
SMILESCCOC1CCSCC1N
InChIInChI=1S/C7H15NOS/c1-2-9-7-3-4-10-5-6(7)8/h6-7H,2-5,8H2,1H3
InChIKeyVLVKKEBHCKMMKS-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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxythian-3-amine?
The IUPAC name of 4-ethoxythian-3-amine (CID 82415371) is 4-ethoxythian-3-amine.
What is the SMILES notation for 4-ethoxythian-3-amine?
The canonical SMILES for 4-ethoxythian-3-amine is CCOC1CCSCC1N.
What is the InChIKey of 4-ethoxythian-3-amine?
The InChIKey is VLVKKEBHCKMMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-2-9-7-3-4-10-5-6(7)8/h6-7H,2-5,8H2,1H3.
What are the key properties of 4-ethoxythian-3-amine?
4-ethoxythian-3-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 4-ethoxythian-3-amine is sourced from PubChem (CID 82415371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).