6-oxa-2-thia-9-azaspiro[4.5]decane

C7H13NOS — CID 82415641

IUPAC6-oxa-2-thia-9-azaspiro[4.5]decane
SMILESC1COC2(CCSC2)CN1
InChIInChI=1S/C7H13NOS/c1-4-10-6-7(1)5-8-2-3-9-7/h8H,1-6H2
InChIKeyKJKKYCLQGXXIMV-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.48
Rot. Bonds

About 6-oxa-2-thia-9-azaspiro[4.5]decane

6-oxa-2-thia-9-azaspiro[4.5]decane (PubChem CID 82415641) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 6-oxa-2-thia-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name6-oxa-2-thia-9-azaspiro[4.5]decane
PubChem CID82415641
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name6-oxa-2-thia-9-azaspiro[4.5]decane
SMILESC1COC2(CCSC2)CN1
InChIInChI=1S/C7H13NOS/c1-4-10-6-7(1)5-8-2-3-9-7/h8H,1-6H2
InChIKeyKJKKYCLQGXXIMV-UHFFFAOYSA-N
XLogP0.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxa-2-thia-9-azaspiro[4.5]decane?
The IUPAC name of 6-oxa-2-thia-9-azaspiro[4.5]decane (CID 82415641) is 6-oxa-2-thia-9-azaspiro[4.5]decane.
What is the SMILES notation for 6-oxa-2-thia-9-azaspiro[4.5]decane?
The canonical SMILES for 6-oxa-2-thia-9-azaspiro[4.5]decane is C1COC2(CCSC2)CN1.
What is the InChIKey of 6-oxa-2-thia-9-azaspiro[4.5]decane?
The InChIKey is KJKKYCLQGXXIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-4-10-6-7(1)5-8-2-3-9-7/h8H,1-6H2.
What are the key properties of 6-oxa-2-thia-9-azaspiro[4.5]decane?
6-oxa-2-thia-9-azaspiro[4.5]decane has a molecular weight of 159.25 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-2-thia-9-azaspiro[4.5]decane is sourced from PubChem (CID 82415641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).