9-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one

C15H22N2O2S2 — CID 72900109

IUPAC9-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCSCc1nc(CCN2CC3(CCOC3)CCC2=O)cs1
InChIInChI=1S/C15H22N2O2S2/c1-20-9-13-16-12(8-21-13)3-6-17-10-15(4-2-14(17)18)5-7-19-11-15/h8H,2-7,9-11H2,1H3
InChIKeyMWDZHTNTDPVPCN-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.58
Rot. Bonds5

About 9-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one

9-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 72900109) has the molecular formula C15H22N2O2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 9-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID72900109
Molecular FormulaC15H22N2O2S2
Molecular Weight326.49 g/mol
Exact Mass326.11
IUPAC Name9-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCSCc1nc(CCN2CC3(CCOC3)CCC2=O)cs1
InChIInChI=1S/C15H22N2O2S2/c1-20-9-13-16-12(8-21-13)3-6-17-10-15(4-2-14(17)18)5-7-19-11-15/h8H,2-7,9-11H2,1H3
InChIKeyMWDZHTNTDPVPCN-UHFFFAOYSA-N
XLogP2.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of 9-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 72900109) is 9-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for 9-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one is CSCc1nc(CCN2CC3(CCOC3)CCC2=O)cs1.
What is the InChIKey of 9-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is MWDZHTNTDPVPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S2/c1-20-9-13-16-12(8-21-13)3-6-17-10-15(4-2-14(17)18)5-7-19-11-15/h8H,2-7,9-11H2,1H3.
What are the key properties of 9-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
9-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 326.49 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 72900109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).