(5R)-9-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one

C14H20N2O2S2 — CID 97123686

IUPAC(5R)-9-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCSCc1nc(CN2C[C@]3(CCOC3)CCC2=O)cs1
InChIInChI=1S/C14H20N2O2S2/c1-19-8-12-15-11(7-20-12)6-16-9-14(3-2-13(16)17)4-5-18-10-14/h7H,2-6,8-10H2,1H3/t14-/m1/s1
InChIKeyVDVJPOXYNMMTKN-CQSZACIVSA-N
MW312.46 g/mol
LogP2.54
Rot. Bonds4

About (5R)-9-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one

(5R)-9-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 97123686) has the molecular formula C14H20N2O2S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is (5R)-9-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5R)-9-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID97123686
Molecular FormulaC14H20N2O2S2
Molecular Weight312.46 g/mol
Exact Mass312.10
IUPAC Name(5R)-9-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCSCc1nc(CN2C[C@]3(CCOC3)CCC2=O)cs1
InChIInChI=1S/C14H20N2O2S2/c1-19-8-12-15-11(7-20-12)6-16-9-14(3-2-13(16)17)4-5-18-10-14/h7H,2-6,8-10H2,1H3/t14-/m1/s1
InChIKeyVDVJPOXYNMMTKN-CQSZACIVSA-N
XLogP2.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-9-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one with MolForge

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Related Compounds

7-[(4-Methyl-2-propyl-1,3-thiazol-5-YL)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72896996
2-(Tetrahydro-2-furanylmethyl)-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 86283146
1-[3-(Methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 118742785
1-[4-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 51079603
8-[(2-Methyl-1,3-thiazol-4-YL)methyl]-1-oxa-8-azaspiro[4.6]undecan-9-one
CID 56892252
9-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-2-(tetrahydrofuran-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70738152
2-[(2-Ethyl-1,3-thiazol-4-YL)methyl]-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72837576
7-({2-[(Methylthio)methyl]-1,3-thiazol-4-yl}methyl)-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72870507
7-{[2-(Ethylthio)-1,3-thiazol-4-yl]acetyl}-2-oxa-7-azaspiro[4.5]decane
CID 72873109
7-[(2-Pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72877867
2-(3-Methoxypropyl)-8-[(2-methyl-1,3-thiazol-4-YL)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72880609
7-(2-{2-[(Methylthio)methyl]-1,3-thiazol-4-yl}ethyl)-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72900109

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of (5R)-9-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 97123686) is (5R)-9-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for (5R)-9-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for (5R)-9-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one is CSCc1nc(CN2C[C@]3(CCOC3)CCC2=O)cs1.
What is the InChIKey of (5R)-9-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is VDVJPOXYNMMTKN-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20N2O2S2/c1-19-8-12-15-11(7-20-12)6-16-9-14(3-2-13(16)17)4-5-18-10-14/h7H,2-6,8-10H2,1H3/t14-/m1/s1.
What are the key properties of (5R)-9-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
(5R)-9-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 312.46 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 97123686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).