8-ethyl-1,4-dithia-7-azaspiro[4.4]nonane

C8H15NS2 — CID 89054722

IUPAC8-ethyl-1,4-dithia-7-azaspiro[4.4]nonane
SMILESCCC1CC2(CN1)SCCS2
InChIInChI=1S/C8H15NS2/c1-2-7-5-8(6-9-7)10-3-4-11-8/h7,9H,2-6H2,1H3
InChIKeyNDZFCJZAEROSBX-UHFFFAOYSA-N
MW189.35 g/mol
LogP1.93
Rot. Bonds1

About 8-ethyl-1,4-dithia-7-azaspiro[4.4]nonane

8-ethyl-1,4-dithia-7-azaspiro[4.4]nonane (PubChem CID 89054722) has the molecular formula C8H15NS2 and a molecular weight of 189.35 g/mol. Its IUPAC name is 8-ethyl-1,4-dithia-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name8-ethyl-1,4-dithia-7-azaspiro[4.4]nonane
PubChem CID89054722
Molecular FormulaC8H15NS2
Molecular Weight189.35 g/mol
Exact Mass189.06
IUPAC Name8-ethyl-1,4-dithia-7-azaspiro[4.4]nonane
SMILESCCC1CC2(CN1)SCCS2
InChIInChI=1S/C8H15NS2/c1-2-7-5-8(6-9-7)10-3-4-11-8/h7,9H,2-6H2,1H3
InChIKeyNDZFCJZAEROSBX-UHFFFAOYSA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1,4-dithia-7-azaspiro[4.4]nonane?
The IUPAC name of 8-ethyl-1,4-dithia-7-azaspiro[4.4]nonane (CID 89054722) is 8-ethyl-1,4-dithia-7-azaspiro[4.4]nonane.
What is the SMILES notation for 8-ethyl-1,4-dithia-7-azaspiro[4.4]nonane?
The canonical SMILES for 8-ethyl-1,4-dithia-7-azaspiro[4.4]nonane is CCC1CC2(CN1)SCCS2.
What is the InChIKey of 8-ethyl-1,4-dithia-7-azaspiro[4.4]nonane?
The InChIKey is NDZFCJZAEROSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS2/c1-2-7-5-8(6-9-7)10-3-4-11-8/h7,9H,2-6H2,1H3.
What are the key properties of 8-ethyl-1,4-dithia-7-azaspiro[4.4]nonane?
8-ethyl-1,4-dithia-7-azaspiro[4.4]nonane has a molecular weight of 189.35 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1,4-dithia-7-azaspiro[4.4]nonane is sourced from PubChem (CID 89054722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).