4-(2-methylsulfinylphenyl)piperidine;prop-1-ene

C15H23NOS — CID 142090527

IUPAC4-(2-methylsulfinylphenyl)piperidine;prop-1-ene
SMILESC=CC.CS(=O)c1ccccc1C1CCNCC1
InChIInChI=1S/C12H17NOS.C3H6/c1-15(14)12-5-3-2-4-11(12)10-6-8-13-9-7-10;1-3-2/h2-5,10,13H,6-9H2,1H3;3H,1H2,2H3
InChIKeyWDPXTCQXCBLEAK-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.08
Rot. Bonds2

About 4-(2-methylsulfinylphenyl)piperidine;prop-1-ene

4-(2-methylsulfinylphenyl)piperidine;prop-1-ene (PubChem CID 142090527) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-(2-methylsulfinylphenyl)piperidine;prop-1-ene.

Molecular Properties

Compound Name4-(2-methylsulfinylphenyl)piperidine;prop-1-ene
PubChem CID142090527
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name4-(2-methylsulfinylphenyl)piperidine;prop-1-ene
SMILESC=CC.CS(=O)c1ccccc1C1CCNCC1
InChIInChI=1S/C12H17NOS.C3H6/c1-15(14)12-5-3-2-4-11(12)10-6-8-13-9-7-10;1-3-2/h2-5,10,13H,6-9H2,1H3;3H,1H2,2H3
InChIKeyWDPXTCQXCBLEAK-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfinylphenyl)piperidine;prop-1-ene?
The IUPAC name of 4-(2-methylsulfinylphenyl)piperidine;prop-1-ene (CID 142090527) is 4-(2-methylsulfinylphenyl)piperidine;prop-1-ene.
What is the SMILES notation for 4-(2-methylsulfinylphenyl)piperidine;prop-1-ene?
The canonical SMILES for 4-(2-methylsulfinylphenyl)piperidine;prop-1-ene is C=CC.CS(=O)c1ccccc1C1CCNCC1.
What is the InChIKey of 4-(2-methylsulfinylphenyl)piperidine;prop-1-ene?
The InChIKey is WDPXTCQXCBLEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS.C3H6/c1-15(14)12-5-3-2-4-11(12)10-6-8-13-9-7-10;1-3-2/h2-5,10,13H,6-9H2,1H3;3H,1H2,2H3.
What are the key properties of 4-(2-methylsulfinylphenyl)piperidine;prop-1-ene?
4-(2-methylsulfinylphenyl)piperidine;prop-1-ene has a molecular weight of 265.42 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfinylphenyl)piperidine;prop-1-ene is sourced from PubChem (CID 142090527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).