1,2-dimethyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine

C8H15NS — CID 167283897

IUPAC1,2-dimethyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine
SMILESCSC1C=CN(C)C(C)C1
InChIInChI=1S/C8H15NS/c1-7-6-8(10-3)4-5-9(7)2/h4-5,7-8H,6H2,1-3H3
InChIKeyMKFOUULFQDMONG-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.96
Rot. Bonds1

About 1,2-dimethyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine

1,2-dimethyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine (PubChem CID 167283897) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1,2-dimethyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,2-dimethyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine
PubChem CID167283897
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1,2-dimethyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine
SMILESCSC1C=CN(C)C(C)C1
InChIInChI=1S/C8H15NS/c1-7-6-8(10-3)4-5-9(7)2/h4-5,7-8H,6H2,1-3H3
InChIKeyMKFOUULFQDMONG-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 1,2-dimethyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine (CID 167283897) is 1,2-dimethyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1,2-dimethyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1,2-dimethyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine is CSC1C=CN(C)C(C)C1.
What is the InChIKey of 1,2-dimethyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine?
The InChIKey is MKFOUULFQDMONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-7-6-8(10-3)4-5-9(7)2/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 1,2-dimethyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine?
1,2-dimethyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine has a molecular weight of 157.28 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-methylsulfanyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 167283897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).