5-(1,3,4-thiadiazol-2-ylmethyl)-5,8-diazaspiro[3.6]decan-9-one

C11H16N4OS — CID 138054454

IUPAC5-(1,3,4-thiadiazol-2-ylmethyl)-5,8-diazaspiro[3.6]decan-9-one
SMILESO=C1CC2(CCC2)N(Cc2nncs2)CCN1
InChIInChI=1S/C11H16N4OS/c16-9-6-11(2-1-3-11)15(5-4-12-9)7-10-14-13-8-17-10/h8H,1-7H2,(H,12,16)
InChIKeyWEMCDAFJPQBJLT-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.78
Rot. Bonds2

About 5-(1,3,4-thiadiazol-2-ylmethyl)-5,8-diazaspiro[3.6]decan-9-one

5-(1,3,4-thiadiazol-2-ylmethyl)-5,8-diazaspiro[3.6]decan-9-one (PubChem CID 138054454) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 5-(1,3,4-thiadiazol-2-ylmethyl)-5,8-diazaspiro[3.6]decan-9-one.

Molecular Properties

Compound Name5-(1,3,4-thiadiazol-2-ylmethyl)-5,8-diazaspiro[3.6]decan-9-one
PubChem CID138054454
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name5-(1,3,4-thiadiazol-2-ylmethyl)-5,8-diazaspiro[3.6]decan-9-one
SMILESO=C1CC2(CCC2)N(Cc2nncs2)CCN1
InChIInChI=1S/C11H16N4OS/c16-9-6-11(2-1-3-11)15(5-4-12-9)7-10-14-13-8-17-10/h8H,1-7H2,(H,12,16)
InChIKeyWEMCDAFJPQBJLT-UHFFFAOYSA-N
XLogP0.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one
CID 20589796
4,4-Dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one
CID 20589891
4-Methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one
CID 20589939
5,5-Dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one
CID 20589989
5-Methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one
CID 20590032
6,6-Dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one
CID 20590081
6-Methyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one
CID 20590122
7,7-Dimethyl-3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one
CID 20590216

Frequently Asked Questions

What is the IUPAC name of 5-(1,3,4-thiadiazol-2-ylmethyl)-5,8-diazaspiro[3.6]decan-9-one?
The IUPAC name of 5-(1,3,4-thiadiazol-2-ylmethyl)-5,8-diazaspiro[3.6]decan-9-one (CID 138054454) is 5-(1,3,4-thiadiazol-2-ylmethyl)-5,8-diazaspiro[3.6]decan-9-one.
What is the SMILES notation for 5-(1,3,4-thiadiazol-2-ylmethyl)-5,8-diazaspiro[3.6]decan-9-one?
The canonical SMILES for 5-(1,3,4-thiadiazol-2-ylmethyl)-5,8-diazaspiro[3.6]decan-9-one is O=C1CC2(CCC2)N(Cc2nncs2)CCN1.
What is the InChIKey of 5-(1,3,4-thiadiazol-2-ylmethyl)-5,8-diazaspiro[3.6]decan-9-one?
The InChIKey is WEMCDAFJPQBJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c16-9-6-11(2-1-3-11)15(5-4-12-9)7-10-14-13-8-17-10/h8H,1-7H2,(H,12,16).
What are the key properties of 5-(1,3,4-thiadiazol-2-ylmethyl)-5,8-diazaspiro[3.6]decan-9-one?
5-(1,3,4-thiadiazol-2-ylmethyl)-5,8-diazaspiro[3.6]decan-9-one has a molecular weight of 252.34 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,4-thiadiazol-2-ylmethyl)-5,8-diazaspiro[3.6]decan-9-one is sourced from PubChem (CID 138054454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).