4-methyl-2-propyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine

C10H19NS2 — CID 529070

IUPAC4-methyl-2-propyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
SMILESCCCC1SC(C)N2CCCC2S1
InChIInChI=1S/C10H19NS2/c1-3-5-10-12-8(2)11-7-4-6-9(11)13-10/h8-10H,3-7H2,1-2H3
InChIKeyCUMZZYRQJYRZDG-UHFFFAOYSA-N
MW217.40 g/mol
LogP3.36
Rot. Bonds2

About 4-methyl-2-propyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine

4-methyl-2-propyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine (PubChem CID 529070) has the molecular formula C10H19NS2 and a molecular weight of 217.40 g/mol. Its IUPAC name is 4-methyl-2-propyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine.

Molecular Properties

Compound Name4-methyl-2-propyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
PubChem CID529070
Molecular FormulaC10H19NS2
Molecular Weight217.40 g/mol
Exact Mass217.10
IUPAC Name4-methyl-2-propyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
SMILESCCCC1SC(C)N2CCCC2S1
InChIInChI=1S/C10H19NS2/c1-3-5-10-12-8(2)11-7-4-6-9(11)13-10/h8-10H,3-7H2,1-2H3
InChIKeyCUMZZYRQJYRZDG-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
The IUPAC name of 4-methyl-2-propyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine (CID 529070) is 4-methyl-2-propyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine.
What is the SMILES notation for 4-methyl-2-propyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
The canonical SMILES for 4-methyl-2-propyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine is CCCC1SC(C)N2CCCC2S1.
What is the InChIKey of 4-methyl-2-propyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
The InChIKey is CUMZZYRQJYRZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS2/c1-3-5-10-12-8(2)11-7-4-6-9(11)13-10/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-methyl-2-propyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
4-methyl-2-propyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine has a molecular weight of 217.40 g/mol, XLogP of 3.36, 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-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine is sourced from PubChem (CID 529070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).