2,4-dimethyl-8,8a-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine

C8H13NS2 — CID 54390800

IUPAC2,4-dimethyl-8,8a-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
SMILESCC1SC(C)N2C=CCC2S1
InChIInChI=1S/C8H13NS2/c1-6-9-5-3-4-8(9)11-7(2)10-6/h3,5-8H,4H2,1-2H3
InChIKeyVGMKBYXDHZCCAE-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.70
Rot. Bonds

About 2,4-dimethyl-8,8a-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine

2,4-dimethyl-8,8a-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine (PubChem CID 54390800) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is 2,4-dimethyl-8,8a-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine.

Molecular Properties

Compound Name2,4-dimethyl-8,8a-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
PubChem CID54390800
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC Name2,4-dimethyl-8,8a-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
SMILESCC1SC(C)N2C=CCC2S1
InChIInChI=1S/C8H13NS2/c1-6-9-5-3-4-8(9)11-7(2)10-6/h3,5-8H,4H2,1-2H3
InChIKeyVGMKBYXDHZCCAE-UHFFFAOYSA-N
XLogP2.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]thiazine
CID 53845480
2,4-dimethyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
CID 57346909
4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
CID 57359426
2-butyl-4-methyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
CID 57359568
4-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
CID 57373783

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-8,8a-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
The IUPAC name of 2,4-dimethyl-8,8a-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine (CID 54390800) is 2,4-dimethyl-8,8a-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine.
What is the SMILES notation for 2,4-dimethyl-8,8a-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
The canonical SMILES for 2,4-dimethyl-8,8a-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine is CC1SC(C)N2C=CCC2S1.
What is the InChIKey of 2,4-dimethyl-8,8a-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
The InChIKey is VGMKBYXDHZCCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS2/c1-6-9-5-3-4-8(9)11-7(2)10-6/h3,5-8H,4H2,1-2H3.
What are the key properties of 2,4-dimethyl-8,8a-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
2,4-dimethyl-8,8a-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine has a molecular weight of 187.33 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-8,8a-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine is sourced from PubChem (CID 54390800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).