4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine

C14H19NO2S — CID 117418008

IUPAC4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
SMILESCSc1c(C2CCNCC2)ccc2c1OCCO2
InChIInChI=1S/C14H19NO2S/c1-18-14-11(10-4-6-15-7-5-10)2-3-12-13(14)17-9-8-16-12/h2-3,10,15H,4-9H2,1H3
InChIKeyPAJSLWOSROWLCR-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.65
Rot. Bonds2

About 4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine

4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine (PubChem CID 117418008) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine.

Molecular Properties

Compound Name4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
PubChem CID117418008
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
SMILESCSc1c(C2CCNCC2)ccc2c1OCCO2
InChIInChI=1S/C14H19NO2S/c1-18-14-11(10-4-6-15-7-5-10)2-3-12-13(14)17-9-8-16-12/h2-3,10,15H,4-9H2,1H3
InChIKeyPAJSLWOSROWLCR-UHFFFAOYSA-N
XLogP2.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 117381903
3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 84684759
4-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine
CID 117338822
4-(3-methyl-2-methylsulfanylphenyl)piperidine
CID 154450435
4-(3-fluoro-2-methylsulfanylphenyl)piperidine
CID 117324169
4-(3-methoxy-2-methylsulfanylphenyl)piperidine
CID 117347828
3-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 117346620
3-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 84696872
4-(4-chloro-1,3-benzodioxol-5-yl)piperidine
CID 117351988
6-cyclopropyl-2,3-dihydro-1,4-benzodioxin-5-amine
CID 178072510
(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 117303095
4-[5-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]piperidine
CID 117463462

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine?
The IUPAC name of 4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine (CID 117418008) is 4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine.
What is the SMILES notation for 4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine?
The canonical SMILES for 4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine is CSc1c(C2CCNCC2)ccc2c1OCCO2.
What is the InChIKey of 4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine?
The InChIKey is PAJSLWOSROWLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-18-14-11(10-4-6-15-7-5-10)2-3-12-13(14)17-9-8-16-12/h2-3,10,15H,4-9H2,1H3.
What are the key properties of 4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine?
4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine has a molecular weight of 265.38 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine is sourced from PubChem (CID 117418008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).