4-[(Z)-but-2-en-2-yl]sulfanyl-1-methyl-3,6-dihydro-2H-pyridine

C10H17NS — CID 89197924

IUPAC4-[(Z)-but-2-en-2-yl]sulfanyl-1-methyl-3,6-dihydro-2H-pyridine
SMILESC/C=C(/C)SC1=CCN(C)CC1
InChIInChI=1S/C10H17NS/c1-4-9(2)12-10-5-7-11(3)8-6-10/h4-5H,6-8H2,1-3H3/b9-4-
InChIKeyLAVFRKWMVOOCIP-WTKPLQERSA-N
MW183.32 g/mol
LogP2.86
Rot. Bonds2

About 4-[(Z)-but-2-en-2-yl]sulfanyl-1-methyl-3,6-dihydro-2H-pyridine

4-[(Z)-but-2-en-2-yl]sulfanyl-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 89197924) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 4-[(Z)-but-2-en-2-yl]sulfanyl-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-[(Z)-but-2-en-2-yl]sulfanyl-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID89197924
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name4-[(Z)-but-2-en-2-yl]sulfanyl-1-methyl-3,6-dihydro-2H-pyridine
SMILESC/C=C(/C)SC1=CCN(C)CC1
InChIInChI=1S/C10H17NS/c1-4-9(2)12-10-5-7-11(3)8-6-10/h4-5H,6-8H2,1-3H3/b9-4-
InChIKeyLAVFRKWMVOOCIP-WTKPLQERSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-2-en-2-yl]sulfanyl-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-[(Z)-but-2-en-2-yl]sulfanyl-1-methyl-3,6-dihydro-2H-pyridine (CID 89197924) is 4-[(Z)-but-2-en-2-yl]sulfanyl-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-[(Z)-but-2-en-2-yl]sulfanyl-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-[(Z)-but-2-en-2-yl]sulfanyl-1-methyl-3,6-dihydro-2H-pyridine is C/C=C(/C)SC1=CCN(C)CC1.
What is the InChIKey of 4-[(Z)-but-2-en-2-yl]sulfanyl-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is LAVFRKWMVOOCIP-WTKPLQERSA-N. The full InChI is InChI=1S/C10H17NS/c1-4-9(2)12-10-5-7-11(3)8-6-10/h4-5H,6-8H2,1-3H3/b9-4-.
What are the key properties of 4-[(Z)-but-2-en-2-yl]sulfanyl-1-methyl-3,6-dihydro-2H-pyridine?
4-[(Z)-but-2-en-2-yl]sulfanyl-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 183.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-en-2-yl]sulfanyl-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 89197924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).