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

C17H28N4O3S — CID 131679702

IUPAC[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone
SMILESCOCCN1CC2(CCN(C(=O)c3nnsc3C)CC2)CC1COC
InChIInChI=1S/C17H28N4O3S/c1-13-15(18-19-25-13)16(22)20-6-4-17(5-7-20)10-14(11-24-3)21(12-17)8-9-23-2/h14H,4-12H2,1-3H3
InChIKeyKHZRLYBBAAIGIV-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.44
Rot. Bonds6

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

[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone (PubChem CID 131679702) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is [2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone
PubChem CID131679702
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone
SMILESCOCCN1CC2(CCN(C(=O)c3nnsc3C)CC2)CC1COC
InChIInChI=1S/C17H28N4O3S/c1-13-15(18-19-25-13)16(22)20-6-4-17(5-7-20)10-14(11-24-3)21(12-17)8-9-23-2/h14H,4-12H2,1-3H3
InChIKeyKHZRLYBBAAIGIV-UHFFFAOYSA-N
XLogP1.44
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone?
The IUPAC name of [2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone (CID 131679702) is [2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone.
What is the SMILES notation for [2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone?
The canonical SMILES for [2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone is COCCN1CC2(CCN(C(=O)c3nnsc3C)CC2)CC1COC.
What is the InChIKey of [2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone?
The InChIKey is KHZRLYBBAAIGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-13-15(18-19-25-13)16(22)20-6-4-17(5-7-20)10-14(11-24-3)21(12-17)8-9-23-2/h14H,4-12H2,1-3H3.
What are the key properties of [2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone?
[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone has a molecular weight of 368.50 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone is sourced from PubChem (CID 131679702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).