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

C10H17NS2 — CID 57359426

IUPAC4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
SMILESCCCC1SC2=CCCN2C(C)S1
InChIInChI=1S/C10H17NS2/c1-3-5-10-12-8(2)11-7-4-6-9(11)13-10/h6,8,10H,3-5,7H2,1-2H3
InChIKeyNXIQUJVJDPONHY-UHFFFAOYSA-N
MW215.39 g/mol
LogP3.49
Rot. Bonds2

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

4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine (PubChem CID 57359426) has the molecular formula C10H17NS2 and a molecular weight of 215.39 g/mol. Its IUPAC name is 4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine.

Molecular Properties

Compound Name4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
PubChem CID57359426
Molecular FormulaC10H17NS2
Molecular Weight215.39 g/mol
Exact Mass215.08
IUPAC Name4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
SMILESCCCC1SC2=CCCN2C(C)S1
InChIInChI=1S/C10H17NS2/c1-3-5-10-12-8(2)11-7-4-6-9(11)13-10/h6,8,10H,3-5,7H2,1-2H3
InChIKeyNXIQUJVJDPONHY-UHFFFAOYSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.39
LogP ≤ 53.49
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
2-Butylidene-3-methyl-1,3-thiazinane
CID 123302051
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 4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
The IUPAC name of 4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine (CID 57359426) is 4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine.
What is the SMILES notation for 4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
The canonical SMILES for 4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine is CCCC1SC2=CCCN2C(C)S1.
What is the InChIKey of 4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
The InChIKey is NXIQUJVJDPONHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS2/c1-3-5-10-12-8(2)11-7-4-6-9(11)13-10/h6,8,10H,3-5,7H2,1-2H3.
What are the key properties of 4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine?
4-methyl-2-propyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine has a molecular weight of 215.39 g/mol, XLogP of 3.49, 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-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine is sourced from PubChem (CID 57359426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).