6-(1,3-dithian-2-yl)-1,2-dimethyl-2H-pyridine

C11H17NS2 — CID 54355118

IUPAC6-(1,3-dithian-2-yl)-1,2-dimethyl-2H-pyridine
SMILESCC1C=CC=C(C2SCCCS2)N1C
InChIInChI=1S/C11H17NS2/c1-9-5-3-6-10(12(9)2)11-13-7-4-8-14-11/h3,5-6,9,11H,4,7-8H2,1-2H3
InChIKeyUIORKJMNXYEHFU-UHFFFAOYSA-N
MW227.40 g/mol
LogP2.96
Rot. Bonds1

About 6-(1,3-dithian-2-yl)-1,2-dimethyl-2H-pyridine

6-(1,3-dithian-2-yl)-1,2-dimethyl-2H-pyridine (PubChem CID 54355118) has the molecular formula C11H17NS2 and a molecular weight of 227.40 g/mol. Its IUPAC name is 6-(1,3-dithian-2-yl)-1,2-dimethyl-2H-pyridine.

Molecular Properties

Compound Name6-(1,3-dithian-2-yl)-1,2-dimethyl-2H-pyridine
PubChem CID54355118
Molecular FormulaC11H17NS2
Molecular Weight227.40 g/mol
Exact Mass227.08
IUPAC Name6-(1,3-dithian-2-yl)-1,2-dimethyl-2H-pyridine
SMILESCC1C=CC=C(C2SCCCS2)N1C
InChIInChI=1S/C11H17NS2/c1-9-5-3-6-10(12(9)2)11-13-7-4-8-14-11/h3,5-6,9,11H,4,7-8H2,1-2H3
InChIKeyUIORKJMNXYEHFU-UHFFFAOYSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dithian-2-yl)-1,2-dimethyl-2H-pyridine?
The IUPAC name of 6-(1,3-dithian-2-yl)-1,2-dimethyl-2H-pyridine (CID 54355118) is 6-(1,3-dithian-2-yl)-1,2-dimethyl-2H-pyridine.
What is the SMILES notation for 6-(1,3-dithian-2-yl)-1,2-dimethyl-2H-pyridine?
The canonical SMILES for 6-(1,3-dithian-2-yl)-1,2-dimethyl-2H-pyridine is CC1C=CC=C(C2SCCCS2)N1C.
What is the InChIKey of 6-(1,3-dithian-2-yl)-1,2-dimethyl-2H-pyridine?
The InChIKey is UIORKJMNXYEHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS2/c1-9-5-3-6-10(12(9)2)11-13-7-4-8-14-11/h3,5-6,9,11H,4,7-8H2,1-2H3.
What are the key properties of 6-(1,3-dithian-2-yl)-1,2-dimethyl-2H-pyridine?
6-(1,3-dithian-2-yl)-1,2-dimethyl-2H-pyridine has a molecular weight of 227.40 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dithian-2-yl)-1,2-dimethyl-2H-pyridine is sourced from PubChem (CID 54355118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).