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

C8H13NS2 — CID 57346909

IUPAC2,4-dimethyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
SMILESCC1SC2=CCCN2C(C)S1
InChIInChI=1S/C8H13NS2/c1-6-9-5-3-4-8(9)11-7(2)10-6/h4,6-7H,3,5H2,1-2H3
InChIKeyQXGJYXDVHVXKHW-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.71
Rot. Bonds

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

2,4-dimethyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine (PubChem CID 57346909) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is 2,4-dimethyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine.

Molecular Properties

Compound Name2,4-dimethyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
PubChem CID57346909
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC Name2,4-dimethyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
SMILESCC1SC2=CCCN2C(C)S1
InChIInChI=1S/C8H13NS2/c1-6-9-5-3-4-8(9)11-7(2)10-6/h4,6-7H,3,5H2,1-2H3
InChIKeyQXGJYXDVHVXKHW-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
The IUPAC name of 2,4-dimethyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine (CID 57346909) is 2,4-dimethyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine.
What is the SMILES notation for 2,4-dimethyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
The canonical SMILES for 2,4-dimethyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine is CC1SC2=CCCN2C(C)S1.
What is the InChIKey of 2,4-dimethyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
The InChIKey is QXGJYXDVHVXKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS2/c1-6-9-5-3-4-8(9)11-7(2)10-6/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 2,4-dimethyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
2,4-dimethyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine has a molecular weight of 187.33 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine is sourced from PubChem (CID 57346909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).