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

C11H19NS2 — CID 57373783

IUPAC4-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
SMILESCC(C)CC1SC2=CCCN2C(C)S1
InChIInChI=1S/C11H19NS2/c1-8(2)7-11-13-9(3)12-6-4-5-10(12)14-11/h5,8-9,11H,4,6-7H2,1-3H3
InChIKeyAUQSWXXLTSDWQA-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.73
Rot. Bonds2

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

4-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine (PubChem CID 57373783) has the molecular formula C11H19NS2 and a molecular weight of 229.41 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
PubChem CID57373783
Molecular FormulaC11H19NS2
Molecular Weight229.41 g/mol
Exact Mass229.10
IUPAC Name4-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
SMILESCC(C)CC1SC2=CCCN2C(C)S1
InChIInChI=1S/C11H19NS2/c1-8(2)7-11-13-9(3)12-6-4-5-10(12)14-11/h5,8-9,11H,4,6-7H2,1-3H3
InChIKeyAUQSWXXLTSDWQA-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-8,8a-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
CID 54390800
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
The IUPAC name of 4-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine (CID 57373783) is 4-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine.
What is the SMILES notation for 4-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
The canonical SMILES for 4-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine is CC(C)CC1SC2=CCCN2C(C)S1.
What is the InChIKey of 4-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
The InChIKey is AUQSWXXLTSDWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS2/c1-8(2)7-11-13-9(3)12-6-4-5-10(12)14-11/h5,8-9,11H,4,6-7H2,1-3H3.
What are the key properties of 4-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
4-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine has a molecular weight of 229.41 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine is sourced from PubChem (CID 57373783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).