5-ethyl-1,5-thiazocane

C8H17NS — CID 20737234

IUPAC5-ethyl-1,5-thiazocane
SMILESCCN1CCCSCCC1
InChIInChI=1S/C8H17NS/c1-2-9-5-3-7-10-8-4-6-9/h2-8H2,1H3
InChIKeyAOIYBMJOFCKQKD-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.84
Rot. Bonds1

About 5-ethyl-1,5-thiazocane

5-ethyl-1,5-thiazocane (PubChem CID 20737234) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 5-ethyl-1,5-thiazocane.

Molecular Properties

Compound Name5-ethyl-1,5-thiazocane
PubChem CID20737234
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name5-ethyl-1,5-thiazocane
SMILESCCN1CCCSCCC1
InChIInChI=1S/C8H17NS/c1-2-9-5-3-7-10-8-4-6-9/h2-8H2,1H3
InChIKeyAOIYBMJOFCKQKD-UHFFFAOYSA-N
XLogP1.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,5-thiazocane?
The IUPAC name of 5-ethyl-1,5-thiazocane (CID 20737234) is 5-ethyl-1,5-thiazocane.
What is the SMILES notation for 5-ethyl-1,5-thiazocane?
The canonical SMILES for 5-ethyl-1,5-thiazocane is CCN1CCCSCCC1.
What is the InChIKey of 5-ethyl-1,5-thiazocane?
The InChIKey is AOIYBMJOFCKQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-2-9-5-3-7-10-8-4-6-9/h2-8H2,1H3.
What are the key properties of 5-ethyl-1,5-thiazocane?
5-ethyl-1,5-thiazocane has a molecular weight of 159.30 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,5-thiazocane is sourced from PubChem (CID 20737234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).