[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate

C18H30N2O7S2 — CID 55701508

About [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate

[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (PubChem CID 55701508) has the molecular formula C18H30N2O7S2 and a molecular weight of 450.58 g/mol. Its IUPAC name is [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.

Molecular Properties

• Compound Name: [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
• PubChem CID: 55701508
• Molecular Formula: C18H30N2O7S2
• Molecular Weight: 450.58 g/mol
• Exact Mass: 450.15
• IUPAC Name: [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
• SMILES: O=C(CN1CCS(=O)(=O)CC1)OCC(=O)N(C1CCCCC1)C1CCS(=O)(=O)C1
• InChI: InChI=1S/C18H30N2O7S2/c21-17(13-27-18(22)12-19-7-10-28(23,24)11-8-19)20(15-4-2-1-3-5-15)16-6-9-29(25,26)14-16/h15-16H,1-14H2
• InChIKey: LEVWBAGIDVWHLZ-UHFFFAOYSA-N
• XLogP: -0.39
• TPSA: 118.13 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.58
LogP ≤ 5	-0.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?

The IUPAC name of [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate (CID 55701508) is [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate.

What is the SMILES notation for [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?

The canonical SMILES for [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is O=C(CN1CCS(=O)(=O)CC1)OCC(=O)N(C1CCCCC1)C1CCS(=O)(=O)C1.

What is the InChIKey of [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?

The InChIKey is LEVWBAGIDVWHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O7S2/c21-17(13-27-18(22)12-19-7-10-28(23,24)11-8-19)20(15-4-2-1-3-5-15)16-6-9-29(25,26)14-16/h15-16H,1-14H2.

What are the key properties of [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate?

[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate has a molecular weight of 450.58 g/mol, XLogP of -0.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate is sourced from PubChem (CID 55701508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).