2-[(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-1,3-thiazole

C12H19N3O2S2 — CID 3232888

IUPAC2-[(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCC2(CC1)CN(Cc1nccs1)C2
InChIInChI=1S/C12H19N3O2S2/c1-19(16,17)15-5-2-12(3-6-15)9-14(10-12)8-11-13-4-7-18-11/h4,7H,2-3,5-6,8-10H2,1H3
InChIKeyOTNCAAWQLXFHPO-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.00
Rot. Bonds3

About 2-[(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-1,3-thiazole

2-[(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-1,3-thiazole (PubChem CID 3232888) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 2-[(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-1,3-thiazole
PubChem CID3232888
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC Name2-[(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-1,3-thiazole
SMILESCS(=O)(=O)N1CCC2(CC1)CN(Cc1nccs1)C2
InChIInChI=1S/C12H19N3O2S2/c1-19(16,17)15-5-2-12(3-6-15)9-14(10-12)8-11-13-4-7-18-11/h4,7H,2-3,5-6,8-10H2,1H3
InChIKeyOTNCAAWQLXFHPO-UHFFFAOYSA-N
XLogP1.00
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-1,3-thiazole (CID 3232888) is 2-[(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-1,3-thiazole is CS(=O)(=O)N1CCC2(CC1)CN(Cc1nccs1)C2.
What is the InChIKey of 2-[(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-1,3-thiazole?
The InChIKey is OTNCAAWQLXFHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-19(16,17)15-5-2-12(3-6-15)9-14(10-12)8-11-13-4-7-18-11/h4,7H,2-3,5-6,8-10H2,1H3.
What are the key properties of 2-[(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-1,3-thiazole?
2-[(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-1,3-thiazole has a molecular weight of 301.44 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 3232888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).