4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine

C₁₀H₁₇NS₂ — CID 57359426

About 4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine

4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine (PubChem CID 57359426) has the molecular formula C₁₀H₁₇NS₂ and a molecular weight of 215.39 g/mol. Its IUPAC name is 4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine.

Molecular Properties

• Compound Name: 4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
• PubChem CID: 57359426
• Molecular Formula: C₁₀H₁₇NS₂
• Molecular Weight: 215.39 g/mol
• Exact Mass: 215.08
• IUPAC Name: 4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
• SMILES: CCCC1SC2=CCCN2C(C)S1
• InChI: InChI=1S/C10H17NS2/c1-3-5-10-12-8(2)11-7-4-6-9(11)13-10/h6,8,10H,3-5,7H2,1-2H3
• InChIKey: NXIQUJVJDPONHY-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 3.24 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	215.39
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?

The IUPAC name of 4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine (CID 57359426) is 4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine.

What is the SMILES notation for 4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?

The canonical SMILES for 4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine is CCCC1SC2=CCCN2C(C)S1.

What is the InChIKey of 4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?

The InChIKey is NXIQUJVJDPONHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS2/c1-3-5-10-12-8(2)11-7-4-6-9(11)13-10/h6,8,10H,3-5,7H2,1-2H3.

What are the key properties of 4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?

4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine has a molecular weight of 215.39 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine is sourced from PubChem (CID 57359426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 57359426 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.