(5S)-6-oxa-2-thia-9-azaspiro[4.5]decane

C7H13NOS — CID 96634189

IUPAC(5S)-6-oxa-2-thia-9-azaspiro[4.5]decane
SMILESC1CO[C@@]2(CCSC2)CN1
InChIInChI=1S/C7H13NOS/c1-4-10-6-7(1)5-8-2-3-9-7/h8H,1-6H2/t7-/m0/s1
InChIKeyKJKKYCLQGXXIMV-ZETCQYMHSA-N
MW159.25 g/mol
LogP0.48
Rot. Bonds

About (5S)-6-oxa-2-thia-9-azaspiro[4.5]decane

(5S)-6-oxa-2-thia-9-azaspiro[4.5]decane (PubChem CID 96634189) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is (5S)-6-oxa-2-thia-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-6-oxa-2-thia-9-azaspiro[4.5]decane
PubChem CID96634189
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name(5S)-6-oxa-2-thia-9-azaspiro[4.5]decane
SMILESC1CO[C@@]2(CCSC2)CN1
InChIInChI=1S/C7H13NOS/c1-4-10-6-7(1)5-8-2-3-9-7/h8H,1-6H2/t7-/m0/s1
InChIKeyKJKKYCLQGXXIMV-ZETCQYMHSA-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 (5S)-6-oxa-2-thia-9-azaspiro[4.5]decane?
The IUPAC name of (5S)-6-oxa-2-thia-9-azaspiro[4.5]decane (CID 96634189) is (5S)-6-oxa-2-thia-9-azaspiro[4.5]decane.
What is the SMILES notation for (5S)-6-oxa-2-thia-9-azaspiro[4.5]decane?
The canonical SMILES for (5S)-6-oxa-2-thia-9-azaspiro[4.5]decane is C1CO[C@@]2(CCSC2)CN1.
What is the InChIKey of (5S)-6-oxa-2-thia-9-azaspiro[4.5]decane?
The InChIKey is KJKKYCLQGXXIMV-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NOS/c1-4-10-6-7(1)5-8-2-3-9-7/h8H,1-6H2/t7-/m0/s1.
What are the key properties of (5S)-6-oxa-2-thia-9-azaspiro[4.5]decane?
(5S)-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 (5S)-6-oxa-2-thia-9-azaspiro[4.5]decane is sourced from PubChem (CID 96634189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).