1,4-dithia-8-azaspiro[4.5]decane

C7H13NS2 — CID 12954120

IUPAC1,4-dithia-8-azaspiro[4.5]decane
SMILESC1CC2(CCN1)SCCS2
InChIInChI=1S/C7H13NS2/c1-3-8-4-2-7(1)9-5-6-10-7/h8H,1-6H2
InChIKeyFOLGBUBJKLISJV-UHFFFAOYSA-N
MW175.32 g/mol
LogP1.55
Rot. Bonds

About 1,4-dithia-8-azaspiro[4.5]decane

1,4-dithia-8-azaspiro[4.5]decane (PubChem CID 12954120) has the molecular formula C7H13NS2 and a molecular weight of 175.32 g/mol. Its IUPAC name is 1,4-dithia-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name1,4-dithia-8-azaspiro[4.5]decane
PubChem CID12954120
Molecular FormulaC7H13NS2
Molecular Weight175.32 g/mol
Exact Mass175.05
IUPAC Name1,4-dithia-8-azaspiro[4.5]decane
SMILESC1CC2(CCN1)SCCS2
InChIInChI=1S/C7H13NS2/c1-3-8-4-2-7(1)9-5-6-10-7/h8H,1-6H2
InChIKeyFOLGBUBJKLISJV-UHFFFAOYSA-N
XLogP1.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dithia-8-azaspiro[4.5]decane?
The IUPAC name of 1,4-dithia-8-azaspiro[4.5]decane (CID 12954120) is 1,4-dithia-8-azaspiro[4.5]decane.
What is the SMILES notation for 1,4-dithia-8-azaspiro[4.5]decane?
The canonical SMILES for 1,4-dithia-8-azaspiro[4.5]decane is C1CC2(CCN1)SCCS2.
What is the InChIKey of 1,4-dithia-8-azaspiro[4.5]decane?
The InChIKey is FOLGBUBJKLISJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS2/c1-3-8-4-2-7(1)9-5-6-10-7/h8H,1-6H2.
What are the key properties of 1,4-dithia-8-azaspiro[4.5]decane?
1,4-dithia-8-azaspiro[4.5]decane has a molecular weight of 175.32 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dithia-8-azaspiro[4.5]decane is sourced from PubChem (CID 12954120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).