2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

C23H32N4O3S2 — CID 110162542

About 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide

2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 110162542) has the molecular formula C23H32N4O3S2 and a molecular weight of 476.67 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
• PubChem CID: 110162542
• Molecular Formula: C23H32N4O3S2
• Molecular Weight: 476.67 g/mol
• Exact Mass: 476.19
• IUPAC Name: 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
• SMILES: Cc1nc(-c2cccc(NC(=O)CN3CCC4(CC3)CN(S(C)(=O)=O)C(C)(C)C4)c2)cs1
• InChI: InChI=1S/C23H32N4O3S2/c1-17-24-20(14-31-17)18-6-5-7-19(12-18)25-21(28)13-26-10-8-23(9-11-26)15-22(2,3)27(16-23)32(4,29)30/h5-7,12,14H,8-11,13,15-16H2,1-4H3,(H,25,28)
• InChIKey: UOWPMKYDKMJIIC-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.67
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?

The IUPAC name of 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide (CID 110162542) is 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide.

What is the SMILES notation for 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?

The canonical SMILES for 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is Cc1nc(-c2cccc(NC(=O)CN3CCC4(CC3)CN(S(C)(=O)=O)C(C)(C)C4)c2)cs1.

What is the InChIKey of 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?

The InChIKey is UOWPMKYDKMJIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S2/c1-17-24-20(14-31-17)18-6-5-7-19(12-18)25-21(28)13-26-10-8-23(9-11-26)15-22(2,3)27(16-23)32(4,29)30/h5-7,12,14H,8-11,13,15-16H2,1-4H3,(H,25,28).

What are the key properties of 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide?

2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 476.67 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,3-dimethyl-2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 110162542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).