[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone

C15H24N4O2S — CID 131680471

IUPAC[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone
SMILESCOCC1CC2(CCN(C(=O)c3nnsc3C)CC2)CN1C
InChIInChI=1S/C15H24N4O2S/c1-11-13(16-17-22-11)14(20)19-6-4-15(5-7-19)8-12(9-21-3)18(2)10-15/h12H,4-10H2,1-3H3
InChIKeyNKYXEXDZDRZQPE-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.42
Rot. Bonds3

About [3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone

[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone (PubChem CID 131680471) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is [3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone
PubChem CID131680471
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone
SMILESCOCC1CC2(CCN(C(=O)c3nnsc3C)CC2)CN1C
InChIInChI=1S/C15H24N4O2S/c1-11-13(16-17-22-11)14(20)19-6-4-15(5-7-19)8-12(9-21-3)18(2)10-15/h12H,4-10H2,1-3H3
InChIKeyNKYXEXDZDRZQPE-UHFFFAOYSA-N
XLogP1.42
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone?
The IUPAC name of [3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone (CID 131680471) is [3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone.
What is the SMILES notation for [3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone?
The canonical SMILES for [3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone is COCC1CC2(CCN(C(=O)c3nnsc3C)CC2)CN1C.
What is the InChIKey of [3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone?
The InChIKey is NKYXEXDZDRZQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-11-13(16-17-22-11)14(20)19-6-4-15(5-7-19)8-12(9-21-3)18(2)10-15/h12H,4-10H2,1-3H3.
What are the key properties of [3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone?
[3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone has a molecular weight of 324.45 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone is sourced from PubChem (CID 131680471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).