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

C11H19NS2 — CID 57359568

IUPAC2-butyl-4-methyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
SMILESCCCCC1SC2=CCCN2C(C)S1
InChIInChI=1S/C11H19NS2/c1-3-4-7-11-13-9(2)12-8-5-6-10(12)14-11/h6,9,11H,3-5,7-8H2,1-2H3
InChIKeyIEHRUDJZRHAPGU-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.88
Rot. Bonds3

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

2-butyl-4-methyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine (PubChem CID 57359568) has the molecular formula C11H19NS2 and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-butyl-4-methyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine.

Molecular Properties

Compound Name2-butyl-4-methyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
PubChem CID57359568
Molecular FormulaC11H19NS2
Molecular Weight229.41 g/mol
Exact Mass229.10
IUPAC Name2-butyl-4-methyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
SMILESCCCCC1SC2=CCCN2C(C)S1
InChIInChI=1S/C11H19NS2/c1-3-4-7-11-13-9(2)12-8-5-6-10(12)14-11/h6,9,11H,3-5,7-8H2,1-2H3
InChIKeyIEHRUDJZRHAPGU-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.88
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
1-(2-Methyl-2,3-dihydrothiophen-5-yl)piperidine
CID 89399017
4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
CID 57359426
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-butyl-4-methyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
The IUPAC name of 2-butyl-4-methyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine (CID 57359568) is 2-butyl-4-methyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine.
What is the SMILES notation for 2-butyl-4-methyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
The canonical SMILES for 2-butyl-4-methyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine is CCCCC1SC2=CCCN2C(C)S1.
What is the InChIKey of 2-butyl-4-methyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
The InChIKey is IEHRUDJZRHAPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS2/c1-3-4-7-11-13-9(2)12-8-5-6-10(12)14-11/h6,9,11H,3-5,7-8H2,1-2H3.
What are the key properties of 2-butyl-4-methyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
2-butyl-4-methyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine has a molecular weight of 229.41 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine is sourced from PubChem (CID 57359568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).