(6S)-11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C15H25N3OS — CID 97398065

IUPAC(6S)-11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCCN1CCOC[C@]2(C1)CCCN(C2)CC3=NC=CS3
InChIInChI=1S/C15H25N3OS/c1-2-17-7-8-19-13-15(11-17)4-3-6-18(12-15)10-14-16-5-9-20-14/h5,9H,2-4,6-8,10-13H2,1H3/t15-/m0/s1
InChIKeyCGUCYLYYQCJWEC-HNNXBMFYSA-N
MW295.40 g/mol
LogP1.50
Rot. Bonds3

About (6S)-11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane

(6S)-11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 97398065) has the molecular formula C15H25N3OS and a molecular weight of 295.40 g/mol. Its IUPAC name is (6S)-11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name(6S)-11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID97398065
Molecular FormulaC15H25N3OS
Molecular Weight295.40 g/mol
Exact Mass295.17
IUPAC Name(6S)-11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCCN1CCOC[C@]2(C1)CCCN(C2)CC3=NC=CS3
InChIInChI=1S/C15H25N3OS/c1-2-17-7-8-19-13-15(11-17)4-3-6-18(12-15)10-14-16-5-9-20-14/h5,9H,2-4,6-8,10-13H2,1H3/t15-/m0/s1
InChIKeyCGUCYLYYQCJWEC-HNNXBMFYSA-N
XLogP1.50
TPSA56.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity317

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of (6S)-11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 97398065) is (6S)-11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for (6S)-11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for (6S)-11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is CCN1CCOC[C@]2(C1)CCCN(C2)CC3=NC=CS3.
What is the InChIKey of (6S)-11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is CGUCYLYYQCJWEC-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-2-17-7-8-19-13-15(11-17)4-3-6-18(12-15)10-14-16-5-9-20-14/h5,9H,2-4,6-8,10-13H2,1H3/t15-/m0/s1.
What are the key properties of (6S)-11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
(6S)-11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 295.40 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-11-ethyl-2-(1,3-thiazol-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97398065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).