(6R)-2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide

C23H30N2O4S — CID 125063180

About (6R)-2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide

(6R)-2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide (PubChem CID 125063180) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is (6R)-2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
• PubChem CID: 125063180
• Molecular Formula: C23H30N2O4S
• Molecular Weight: 430.57 g/mol
• Exact Mass: 430.19
• IUPAC Name: (6R)-2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide
• SMILES: Cc1cccc(C)c1N1CCC[C@](C)(C(=O)Nc2ccc(OC(C)C)cc2)S1(=O)=O
• InChI: InChI=1S/C23H30N2O4S/c1-16(2)29-20-12-10-19(11-13-20)24-22(26)23(5)14-7-15-25(30(23,27)28)21-17(3)8-6-9-18(21)4/h6,8-13,16H,7,14-15H2,1-5H3,(H,24,26)/t23-/m1/s1
• InChIKey: IMBXWGBOVQKCLV-HSZRJFAPSA-N
• XLogP: 4.42
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.57
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide?

The IUPAC name of (6R)-2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide (CID 125063180) is (6R)-2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide.

What is the SMILES notation for (6R)-2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide?

The canonical SMILES for (6R)-2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide is Cc1cccc(C)c1N1CCC[C@](C)(C(=O)Nc2ccc(OC(C)C)cc2)S1(=O)=O.

What is the InChIKey of (6R)-2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide?

The InChIKey is IMBXWGBOVQKCLV-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-16(2)29-20-12-10-19(11-13-20)24-22(26)23(5)14-7-15-25(30(23,27)28)21-17(3)8-6-9-18(21)4/h6,8-13,16H,7,14-15H2,1-5H3,(H,24,26)/t23-/m1/s1.

What are the key properties of (6R)-2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide?

(6R)-2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-2-(2,6-dimethylphenyl)-6-methyl-1,1-dioxo-N-(4-propan-2-yloxyphenyl)thiazinane-6-carboxamide is sourced from PubChem (CID 125063180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).