N,N-diethyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide

C17H27N3O3S — CID 20952518

About N,N-diethyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide

N,N-diethyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide (PubChem CID 20952518) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N,N-diethyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide.

Molecular Properties

• Compound Name: N,N-diethyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
• PubChem CID: 20952518
• Molecular Formula: C17H27N3O3S
• Molecular Weight: 353.49 g/mol
• Exact Mass: 353.18
• IUPAC Name: N,N-diethyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
• SMILES: CCN(CC)C(=O)CN1CCCN(Cc2cccc(C)c2)S1(=O)=O
• InChI: InChI=1S/C17H27N3O3S/c1-4-18(5-2)17(21)14-20-11-7-10-19(24(20,22)23)13-16-9-6-8-15(3)12-16/h6,8-9,12H,4-5,7,10-11,13-14H2,1-3H3
• InChIKey: XSZUNKRAYHXZJZ-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 60.93 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.49
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide?

The IUPAC name of N,N-diethyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide (CID 20952518) is N,N-diethyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide.

What is the SMILES notation for N,N-diethyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide?

The canonical SMILES for N,N-diethyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide is CCN(CC)C(=O)CN1CCCN(Cc2cccc(C)c2)S1(=O)=O.

What is the InChIKey of N,N-diethyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide?

The InChIKey is XSZUNKRAYHXZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-4-18(5-2)17(21)14-20-11-7-10-19(24(20,22)23)13-16-9-6-8-15(3)12-16/h6,8-9,12H,4-5,7,10-11,13-14H2,1-3H3.

What are the key properties of N,N-diethyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide?

N,N-diethyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide has a molecular weight of 353.49 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide is sourced from PubChem (CID 20952518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).