2-(2-methoxyethyl)-8-[(4-methylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C16H26N4O2S — CID 70729214

IUPAC2-(2-methoxyethyl)-8-[(4-methylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(Cc3snnc3C)C2)CCC1=O
InChIInChI=1S/C16H26N4O2S/c1-13-14(23-18-17-13)10-19-7-3-5-16(11-19)6-4-15(21)20(12-16)8-9-22-2/h3-12H2,1-2H3
InChIKeyVJBOEDKGODTGEF-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.70
Rot. Bonds5

About 2-(2-methoxyethyl)-8-[(4-methylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-8-[(4-methylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70729214) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-[(4-methylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-8-[(4-methylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70729214
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name2-(2-methoxyethyl)-8-[(4-methylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(Cc3snnc3C)C2)CCC1=O
InChIInChI=1S/C16H26N4O2S/c1-13-14(23-18-17-13)10-19-7-3-5-16(11-19)6-4-15(21)20(12-16)8-9-22-2/h3-12H2,1-2H3
InChIKeyVJBOEDKGODTGEF-UHFFFAOYSA-N
XLogP1.70
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-1'-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-1,4'-bipiperidine-3-carboxamide
CID 56865277
8-[(4-Ethyl-1,2,3-thiadiazol-5-yl)carbonyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72878389
1'-[(4-Methyl-1,2,3-thiadiazol-5-yl)methyl]-3-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine
CID 56881278
9-[(4-Isopropyl-1,2,3-thiadiazol-5-YL)methyl]-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70709297
2-(3-Methoxypropyl)-8-[(4-methyl-1,2,3-thiadiazol-5-YL)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70721168
2-(3-Methylbutyl)-8-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70733840
2-(Cyclopropylmethyl)-8-[(4-isopropyl-1,2,3-thiadiazol-5-YL)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70735082
2-(3-Methylbutyl)-8-[(4-methylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70754808
8-[(4-Isopropyl-1,2,3-thiadiazol-5-YL)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70755092
10-(2-Methoxyethyl)-1-methyl-4-[(4-methylthiadiazol-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70765116
2-Butyl-8-[(4-methyl-1,2,3-thiadiazol-5-YL)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70776981
2-Butyl-8-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70786956

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-8-[(4-methylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-8-[(4-methylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70729214) is 2-(2-methoxyethyl)-8-[(4-methylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-8-[(4-methylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-8-[(4-methylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCCN(Cc3snnc3C)C2)CCC1=O.
What is the InChIKey of 2-(2-methoxyethyl)-8-[(4-methylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is VJBOEDKGODTGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-13-14(23-18-17-13)10-19-7-3-5-16(11-19)6-4-15(21)20(12-16)8-9-22-2/h3-12H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-8-[(4-methylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-8-[(4-methylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 338.48 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-8-[(4-methylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70729214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).