[2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone

C15H24N4O4S2 — CID 131679633

IUPAC[2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone
SMILESCOCC1CCC2(CCN(C(=O)c3nnsc3C)CC2)N1S(C)(=O)=O
InChIInChI=1S/C15H24N4O4S2/c1-11-13(16-17-24-11)14(20)18-8-6-15(7-9-18)5-4-12(10-23-2)19(15)25(3,21)22/h12H,4-10H2,1-3H3
InChIKeyWCHWHFNKJTXWBS-UHFFFAOYSA-N
MW388.52 g/mol
LogP0.89
Rot. Bonds4

About [2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone

[2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone (PubChem CID 131679633) has the molecular formula C15H24N4O4S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is [2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone
PubChem CID131679633
Molecular FormulaC15H24N4O4S2
Molecular Weight388.52 g/mol
Exact Mass388.12
IUPAC Name[2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone
SMILESCOCC1CCC2(CCN(C(=O)c3nnsc3C)CC2)N1S(C)(=O)=O
InChIInChI=1S/C15H24N4O4S2/c1-11-13(16-17-24-11)14(20)18-8-6-15(7-9-18)5-4-12(10-23-2)19(15)25(3,21)22/h12H,4-10H2,1-3H3
InChIKeyWCHWHFNKJTXWBS-UHFFFAOYSA-N
XLogP0.89
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone?
The IUPAC name of [2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone (CID 131679633) is [2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone.
What is the SMILES notation for [2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone?
The canonical SMILES for [2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone is COCC1CCC2(CCN(C(=O)c3nnsc3C)CC2)N1S(C)(=O)=O.
What is the InChIKey of [2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone?
The InChIKey is WCHWHFNKJTXWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S2/c1-11-13(16-17-24-11)14(20)18-8-6-15(7-9-18)5-4-12(10-23-2)19(15)25(3,21)22/h12H,4-10H2,1-3H3.
What are the key properties of [2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone?
[2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone has a molecular weight of 388.52 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylthiadiazol-4-yl)methanone is sourced from PubChem (CID 131679633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).