N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-[methyl(methylsulfonyl)amino]acetamide

C13H15N3O5S2 — CID 43978594

About N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-[methyl(methylsulfonyl)amino]acetamide

N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 43978594) has the molecular formula C13H15N3O5S2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

• Compound Name: N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-[methyl(methylsulfonyl)amino]acetamide
• PubChem CID: 43978594
• Molecular Formula: C13H15N3O5S2
• Molecular Weight: 357.41 g/mol
• Exact Mass: 357.05
• IUPAC Name: N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-[methyl(methylsulfonyl)amino]acetamide
• SMILES: CN(CC(=O)/N=c1\sc2cc3c(cc2n1C)OCO3)S(C)(=O)=O
• InChI: InChI=1S/C13H15N3O5S2/c1-15(23(3,18)19)6-12(17)14-13-16(2)8-4-9-10(21-7-20-9)5-11(8)22-13/h4-5H,6-7H2,1-3H3/b14-13-
• InChIKey: NUHGTXMJTITOIC-YPKPFQOOSA-N
• XLogP: 0.29
• TPSA: 90.20 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.41
LogP ≤ 5	0.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-[methyl(methylsulfonyl)amino]acetamide?

The IUPAC name of N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-[methyl(methylsulfonyl)amino]acetamide (CID 43978594) is N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-[methyl(methylsulfonyl)amino]acetamide.

What is the SMILES notation for N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-[methyl(methylsulfonyl)amino]acetamide?

The canonical SMILES for N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-[methyl(methylsulfonyl)amino]acetamide is CN(CC(=O)/N=c1\sc2cc3c(cc2n1C)OCO3)S(C)(=O)=O.

What is the InChIKey of N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-[methyl(methylsulfonyl)amino]acetamide?

The InChIKey is NUHGTXMJTITOIC-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H15N3O5S2/c1-15(23(3,18)19)6-12(17)14-13-16(2)8-4-9-10(21-7-20-9)5-11(8)22-13/h4-5H,6-7H2,1-3H3/b14-13-.

What are the key properties of N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-[methyl(methylsulfonyl)amino]acetamide?

N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 357.41 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 43978594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).