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

C17H28N4O2S — CID 131680783

IUPAC[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone
SMILESCOCC1CC2(CCN(C(=O)c3nnsc3C)CC2)CN1C(C)C
InChIInChI=1S/C17H28N4O2S/c1-12(2)21-11-17(9-14(21)10-23-4)5-7-20(8-6-17)16(22)15-13(3)24-19-18-15/h12,14H,5-11H2,1-4H3
InChIKeyNEWAKNZVQXNYEV-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.20
Rot. Bonds4

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

[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone (PubChem CID 131680783) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone
PubChem CID131680783
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone
SMILESCOCC1CC2(CCN(C(=O)c3nnsc3C)CC2)CN1C(C)C
InChIInChI=1S/C17H28N4O2S/c1-12(2)21-11-17(9-14(21)10-23-4)5-7-20(8-6-17)16(22)15-13(3)24-19-18-15/h12,14H,5-11H2,1-4H3
InChIKeyNEWAKNZVQXNYEV-UHFFFAOYSA-N
XLogP2.20
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone?
The IUPAC name of [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone (CID 131680783) is [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone.
What is the SMILES notation for [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone?
The canonical SMILES for [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone is COCC1CC2(CCN(C(=O)c3nnsc3C)CC2)CN1C(C)C.
What is the InChIKey of [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone?
The InChIKey is NEWAKNZVQXNYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-12(2)21-11-17(9-14(21)10-23-4)5-7-20(8-6-17)16(22)15-13(3)24-19-18-15/h12,14H,5-11H2,1-4H3.
What are the key properties of [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone?
[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone has a molecular weight of 352.50 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone is sourced from PubChem (CID 131680783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).