5-methylsulfanyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine

C12H23NS — CID 170052855

IUPAC5-methylsulfanyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCSC1=C(C(C)C)CCN(C(C)C)C1
InChIInChI=1S/C12H23NS/c1-9(2)11-6-7-13(10(3)4)8-12(11)14-5/h9-10H,6-8H2,1-5H3
InChIKeyWJSLUHXEMPBTTG-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.37
Rot. Bonds3

About 5-methylsulfanyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine

5-methylsulfanyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 170052855) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 5-methylsulfanyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-methylsulfanyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
PubChem CID170052855
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name5-methylsulfanyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCSC1=C(C(C)C)CCN(C(C)C)C1
InChIInChI=1S/C12H23NS/c1-9(2)11-6-7-13(10(3)4)8-12(11)14-5/h9-10H,6-8H2,1-5H3
InChIKeyWJSLUHXEMPBTTG-UHFFFAOYSA-N
XLogP3.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-methylsulfanyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine (CID 170052855) is 5-methylsulfanyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-methylsulfanyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-methylsulfanyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine is CSC1=C(C(C)C)CCN(C(C)C)C1.
What is the InChIKey of 5-methylsulfanyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is WJSLUHXEMPBTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-9(2)11-6-7-13(10(3)4)8-12(11)14-5/h9-10H,6-8H2,1-5H3.
What are the key properties of 5-methylsulfanyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
5-methylsulfanyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 213.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 170052855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).