2,5-dimethylpyridine;thiolane

C11H17NS — CID 67563776

IUPAC2,5-dimethylpyridine;thiolane
SMILESC1CCSC1.Cc1ccc(C)nc1
InChIInChI=1S/C7H9N.C4H8S/c1-6-3-4-7(2)8-5-6;1-2-4-5-3-1/h3-5H,1-2H3;1-4H2
InChIKeyNBCCUGZZQAGDQY-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.21
Rot. Bonds

About 2,5-dimethylpyridine;thiolane

2,5-dimethylpyridine;thiolane (PubChem CID 67563776) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 2,5-dimethylpyridine;thiolane.

Molecular Properties

Compound Name2,5-dimethylpyridine;thiolane
PubChem CID67563776
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name2,5-dimethylpyridine;thiolane
SMILESC1CCSC1.Cc1ccc(C)nc1
InChIInChI=1S/C7H9N.C4H8S/c1-6-3-4-7(2)8-5-6;1-2-4-5-3-1/h3-5H,1-2H3;1-4H2
InChIKeyNBCCUGZZQAGDQY-UHFFFAOYSA-N
XLogP3.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyridine;thiolane?
The IUPAC name of 2,5-dimethylpyridine;thiolane (CID 67563776) is 2,5-dimethylpyridine;thiolane.
What is the SMILES notation for 2,5-dimethylpyridine;thiolane?
The canonical SMILES for 2,5-dimethylpyridine;thiolane is C1CCSC1.Cc1ccc(C)nc1.
What is the InChIKey of 2,5-dimethylpyridine;thiolane?
The InChIKey is NBCCUGZZQAGDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C4H8S/c1-6-3-4-7(2)8-5-6;1-2-4-5-3-1/h3-5H,1-2H3;1-4H2.
What are the key properties of 2,5-dimethylpyridine;thiolane?
2,5-dimethylpyridine;thiolane has a molecular weight of 195.33 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyridine;thiolane is sourced from PubChem (CID 67563776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).