2-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-1,3-thiazole

C12H19N3O2S2 — CID 118739057

IUPAC2-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-1,3-thiazole
SMILESCS(=O)(=O)N1CCCC12CCCN(c1nccs1)C2
InChIInChI=1S/C12H19N3O2S2/c1-19(16,17)15-8-3-5-12(15)4-2-7-14(10-12)11-13-6-9-18-11/h6,9H,2-5,7-8,10H2,1H3
InChIKeyOCUNCFCKCHFHGZ-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.54
Rot. Bonds2

About 2-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-1,3-thiazole

2-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-1,3-thiazole (PubChem CID 118739057) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 2-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-1,3-thiazole
PubChem CID118739057
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC Name2-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-1,3-thiazole
SMILESCS(=O)(=O)N1CCCC12CCCN(c1nccs1)C2
InChIInChI=1S/C12H19N3O2S2/c1-19(16,17)15-8-3-5-12(15)4-2-7-14(10-12)11-13-6-9-18-11/h6,9H,2-5,7-8,10H2,1H3
InChIKeyOCUNCFCKCHFHGZ-UHFFFAOYSA-N
XLogP1.54
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-1,3-thiazole?
The IUPAC name of 2-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-1,3-thiazole (CID 118739057) is 2-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-1,3-thiazole?
The canonical SMILES for 2-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-1,3-thiazole is CS(=O)(=O)N1CCCC12CCCN(c1nccs1)C2.
What is the InChIKey of 2-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-1,3-thiazole?
The InChIKey is OCUNCFCKCHFHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-19(16,17)15-8-3-5-12(15)4-2-7-14(10-12)11-13-6-9-18-11/h6,9H,2-5,7-8,10H2,1H3.
What are the key properties of 2-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-1,3-thiazole?
2-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-1,3-thiazole has a molecular weight of 301.44 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)-1,3-thiazole is sourced from PubChem (CID 118739057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).