(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-(3,3-dimethyl-4-methylidenecyclopentyl)methanone

C19H29NO3S — CID 572972

About (10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-(3,3-dimethyl-4-methylidenecyclopentyl)methanone

(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-(3,3-dimethyl-4-methylidenecyclopentyl)methanone (PubChem CID 572972) has the molecular formula C19H29NO3S and a molecular weight of 351.51 g/mol. Its IUPAC name is (10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-(3,3-dimethyl-4-methylidenecyclopentyl)methanone.

Molecular Properties

• Compound Name: (10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-(3,3-dimethyl-4-methylidenecyclopentyl)methanone
• PubChem CID: 572972
• Molecular Formula: C19H29NO3S
• Molecular Weight: 351.51 g/mol
• Exact Mass: 351.19
• IUPAC Name: (10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-(3,3-dimethyl-4-methylidenecyclopentyl)methanone
• SMILES: C=C1CC(C(=O)N2C3CC4CCC3(CS2(=O)=O)C4(C)C)CC1(C)C
• InChI: InChI=1S/C19H29NO3S/c1-12-8-13(10-17(12,2)3)16(21)20-15-9-14-6-7-19(15,18(14,4)5)11-24(20,22)23/h13-15H,1,6-11H2,2-5H3
• InChIKey: BVABOTIRNUTRFB-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 54.45 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.51
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-(3,3-dimethyl-4-methylidenecyclopentyl)methanone?

The IUPAC name of (10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-(3,3-dimethyl-4-methylidenecyclopentyl)methanone (CID 572972) is (10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-(3,3-dimethyl-4-methylidenecyclopentyl)methanone.

What is the SMILES notation for (10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-(3,3-dimethyl-4-methylidenecyclopentyl)methanone?

The canonical SMILES for (10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-(3,3-dimethyl-4-methylidenecyclopentyl)methanone is C=C1CC(C(=O)N2C3CC4CCC3(CS2(=O)=O)C4(C)C)CC1(C)C.

What is the InChIKey of (10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-(3,3-dimethyl-4-methylidenecyclopentyl)methanone?

The InChIKey is BVABOTIRNUTRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3S/c1-12-8-13(10-17(12,2)3)16(21)20-15-9-14-6-7-19(15,18(14,4)5)11-24(20,22)23/h13-15H,1,6-11H2,2-5H3.

What are the key properties of (10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-(3,3-dimethyl-4-methylidenecyclopentyl)methanone?

(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-(3,3-dimethyl-4-methylidenecyclopentyl)methanone has a molecular weight of 351.51 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-(3,3-dimethyl-4-methylidenecyclopentyl)methanone is sourced from PubChem (CID 572972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).