2-(2-propan-2-ylsulfanylethyl)-1,2-dihydropyridine

C10H17NS — CID 143040271

IUPAC2-(2-propan-2-ylsulfanylethyl)-1,2-dihydropyridine
SMILESCC(C)SCCC1C=CC=CN1
InChIInChI=1S/C10H17NS/c1-9(2)12-8-6-10-5-3-4-7-11-10/h3-5,7,9-11H,6,8H2,1-2H3
InChIKeyZVZOCLVDBGWQEH-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.56
Rot. Bonds4

About 2-(2-propan-2-ylsulfanylethyl)-1,2-dihydropyridine

2-(2-propan-2-ylsulfanylethyl)-1,2-dihydropyridine (PubChem CID 143040271) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 2-(2-propan-2-ylsulfanylethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(2-propan-2-ylsulfanylethyl)-1,2-dihydropyridine
PubChem CID143040271
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name2-(2-propan-2-ylsulfanylethyl)-1,2-dihydropyridine
SMILESCC(C)SCCC1C=CC=CN1
InChIInChI=1S/C10H17NS/c1-9(2)12-8-6-10-5-3-4-7-11-10/h3-5,7,9-11H,6,8H2,1-2H3
InChIKeyZVZOCLVDBGWQEH-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylsulfanylethyl)-1,2-dihydropyridine?
The IUPAC name of 2-(2-propan-2-ylsulfanylethyl)-1,2-dihydropyridine (CID 143040271) is 2-(2-propan-2-ylsulfanylethyl)-1,2-dihydropyridine.
What is the SMILES notation for 2-(2-propan-2-ylsulfanylethyl)-1,2-dihydropyridine?
The canonical SMILES for 2-(2-propan-2-ylsulfanylethyl)-1,2-dihydropyridine is CC(C)SCCC1C=CC=CN1.
What is the InChIKey of 2-(2-propan-2-ylsulfanylethyl)-1,2-dihydropyridine?
The InChIKey is ZVZOCLVDBGWQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-9(2)12-8-6-10-5-3-4-7-11-10/h3-5,7,9-11H,6,8H2,1-2H3.
What are the key properties of 2-(2-propan-2-ylsulfanylethyl)-1,2-dihydropyridine?
2-(2-propan-2-ylsulfanylethyl)-1,2-dihydropyridine has a molecular weight of 183.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylsulfanylethyl)-1,2-dihydropyridine is sourced from PubChem (CID 143040271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).