(5S,6S)-6-methoxy-8-morpholin-4-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane

C13H24N2O5S — CID 110159673

IUPAC(5S,6S)-6-methoxy-8-morpholin-4-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCO[C@H]1CN(S(=O)(=O)N2CCOCC2)CC[C@@]12CCCO2
InChIInChI=1S/C13H24N2O5S/c1-18-12-11-15(5-4-13(12)3-2-8-20-13)21(16,17)14-6-9-19-10-7-14/h12H,2-11H2,1H3/t12-,13-/m0/s1
InChIKeyKLQPAQKMLLTHAY-STQMWFEESA-N
MW320.41 g/mol
LogP-0.17
Rot. Bonds3

About (5S,6S)-6-methoxy-8-morpholin-4-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane

(5S,6S)-6-methoxy-8-morpholin-4-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 110159673) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is (5S,6S)-6-methoxy-8-morpholin-4-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,6S)-6-methoxy-8-morpholin-4-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane
PubChem CID110159673
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name(5S,6S)-6-methoxy-8-morpholin-4-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane
SMILESCO[C@H]1CN(S(=O)(=O)N2CCOCC2)CC[C@@]12CCCO2
InChIInChI=1S/C13H24N2O5S/c1-18-12-11-15(5-4-13(12)3-2-8-20-13)21(16,17)14-6-9-19-10-7-14/h12H,2-11H2,1H3/t12-,13-/m0/s1
InChIKeyKLQPAQKMLLTHAY-STQMWFEESA-N
XLogP-0.17
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-methoxy-8-morpholin-4-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (5S,6S)-6-methoxy-8-morpholin-4-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane (CID 110159673) is (5S,6S)-6-methoxy-8-morpholin-4-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (5S,6S)-6-methoxy-8-morpholin-4-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (5S,6S)-6-methoxy-8-morpholin-4-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane is CO[C@H]1CN(S(=O)(=O)N2CCOCC2)CC[C@@]12CCCO2.
What is the InChIKey of (5S,6S)-6-methoxy-8-morpholin-4-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is KLQPAQKMLLTHAY-STQMWFEESA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-18-12-11-15(5-4-13(12)3-2-8-20-13)21(16,17)14-6-9-19-10-7-14/h12H,2-11H2,1H3/t12-,13-/m0/s1.
What are the key properties of (5S,6S)-6-methoxy-8-morpholin-4-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane?
(5S,6S)-6-methoxy-8-morpholin-4-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 320.41 g/mol, XLogP of -0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-methoxy-8-morpholin-4-ylsulfonyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 110159673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).