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

C15H25N3O2S — CID 97397867

IUPAC(6R)-11-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCOCCN1CCOC[C@]2(CCCN(c3nccs3)C2)C1
InChIInChI=1S/C15H25N3O2S/c1-19-8-6-17-7-9-20-13-15(11-17)3-2-5-18(12-15)14-16-4-10-21-14/h4,10H,2-3,5-9,11-13H2,1H3/t15-/m1/s1
InChIKeySEAIDUJWEGGBKY-OAHLLOKOSA-N
MW311.45 g/mol
LogP1.71
Rot. Bonds4

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

(6R)-11-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 97397867) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is (6R)-11-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6R)-11-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID97397867
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name(6R)-11-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCOCCN1CCOC[C@]2(CCCN(c3nccs3)C2)C1
InChIInChI=1S/C15H25N3O2S/c1-19-8-6-17-7-9-20-13-15(11-17)3-2-5-18(12-15)14-16-4-10-21-14/h4,10H,2-3,5-9,11-13H2,1H3/t15-/m1/s1
InChIKeySEAIDUJWEGGBKY-OAHLLOKOSA-N
XLogP1.71
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6R)-11-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of (6R)-11-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 97397867) is (6R)-11-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6R)-11-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for (6R)-11-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is COCCN1CCOC[C@]2(CCCN(c3nccs3)C2)C1.
What is the InChIKey of (6R)-11-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is SEAIDUJWEGGBKY-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-19-8-6-17-7-9-20-13-15(11-17)3-2-5-18(12-15)14-16-4-10-21-14/h4,10H,2-3,5-9,11-13H2,1H3/t15-/m1/s1.
What are the key properties of (6R)-11-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
(6R)-11-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 311.45 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-11-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97397867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).