N-[3-(2-methylsulfanylethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene]butanamide

C16H20N2O3S2 — CID 41126205

About N-[3-(2-methylsulfanylethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene]butanamide

N-[3-(2-methylsulfanylethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene]butanamide (PubChem CID 41126205) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[3-(2-methylsulfanylethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene]butanamide.

Molecular Properties

• Compound Name: N-[3-(2-methylsulfanylethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene]butanamide
• PubChem CID: 41126205
• Molecular Formula: C16H20N2O3S2
• Molecular Weight: 352.48 g/mol
• Exact Mass: 352.09
• IUPAC Name: N-[3-(2-methylsulfanylethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene]butanamide
• SMILES: CCCC(=O)/N=c1\sc2cc3c(cc2n1CCSC)OCCO3
• InChI: InChI=1S/C16H20N2O3S2/c1-3-4-15(19)17-16-18(5-8-22-2)11-9-12-13(10-14(11)23-16)21-7-6-20-12/h9-10H,3-8H2,1-2H3/b17-16-
• InChIKey: GPNFRROHNXUUQI-MSUUIHNZSA-N
• XLogP: 3.06
• TPSA: 52.82 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.48
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylsulfanylethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene]butanamide?

The IUPAC name of N-[3-(2-methylsulfanylethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene]butanamide (CID 41126205) is N-[3-(2-methylsulfanylethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene]butanamide.

What is the SMILES notation for N-[3-(2-methylsulfanylethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene]butanamide?

The canonical SMILES for N-[3-(2-methylsulfanylethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene]butanamide is CCCC(=O)/N=c1\sc2cc3c(cc2n1CCSC)OCCO3.

What is the InChIKey of N-[3-(2-methylsulfanylethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene]butanamide?

The InChIKey is GPNFRROHNXUUQI-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-3-4-15(19)17-16-18(5-8-22-2)11-9-12-13(10-14(11)23-16)21-7-6-20-12/h9-10H,3-8H2,1-2H3/b17-16-.

What are the key properties of N-[3-(2-methylsulfanylethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene]butanamide?

N-[3-(2-methylsulfanylethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene]butanamide has a molecular weight of 352.48 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-methylsulfanylethyl)-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene]butanamide is sourced from PubChem (CID 41126205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).