(6R)-2-(oxan-4-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C17H27N3O2S — CID 97494891

IUPAC(6R)-2-(oxan-4-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1csc(N2CCOC[C@@]3(CCCN(C4CCOCC4)C3)C2)n1
InChIInChI=1S/C17H27N3O2S/c1-4-17(12-19(6-1)15-2-8-21-9-3-15)13-20(7-10-22-14-17)16-18-5-11-23-16/h5,11,15H,1-4,6-10,12-14H2/t17-/m1/s1
InChIKeyJOXBAUSLQOBHSW-QGZVFWFLSA-N
MW337.49 g/mol
LogP2.24
Rot. Bonds2

About (6R)-2-(oxan-4-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

(6R)-2-(oxan-4-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 97494891) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is (6R)-2-(oxan-4-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6R)-2-(oxan-4-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID97494891
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name(6R)-2-(oxan-4-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1csc(N2CCOC[C@@]3(CCCN(C4CCOCC4)C3)C2)n1
InChIInChI=1S/C17H27N3O2S/c1-4-17(12-19(6-1)15-2-8-21-9-3-15)13-20(7-10-22-14-17)16-18-5-11-23-16/h5,11,15H,1-4,6-10,12-14H2/t17-/m1/s1
InChIKeyJOXBAUSLQOBHSW-QGZVFWFLSA-N
XLogP2.24
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-(oxan-4-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of (6R)-2-(oxan-4-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 97494891) is (6R)-2-(oxan-4-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6R)-2-(oxan-4-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for (6R)-2-(oxan-4-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is c1csc(N2CCOC[C@@]3(CCCN(C4CCOCC4)C3)C2)n1.
What is the InChIKey of (6R)-2-(oxan-4-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is JOXBAUSLQOBHSW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-4-17(12-19(6-1)15-2-8-21-9-3-15)13-20(7-10-22-14-17)16-18-5-11-23-16/h5,11,15H,1-4,6-10,12-14H2/t17-/m1/s1.
What are the key properties of (6R)-2-(oxan-4-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
(6R)-2-(oxan-4-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 337.49 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(oxan-4-yl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97494891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).