1-methyl-3-phenylsulfanylpiperidine

C12H17NS — CID 142412320

IUPAC1-methyl-3-phenylsulfanylpiperidine
SMILESCN1CCCC(Sc2ccccc2)C1
InChIInChI=1S/C12H17NS/c1-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
InChIKeyDYRGZFXCQFFMSI-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.87
Rot. Bonds2

About 1-methyl-3-phenylsulfanylpiperidine

1-methyl-3-phenylsulfanylpiperidine (PubChem CID 142412320) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 1-methyl-3-phenylsulfanylpiperidine.

Molecular Properties

Compound Name1-methyl-3-phenylsulfanylpiperidine
PubChem CID142412320
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name1-methyl-3-phenylsulfanylpiperidine
SMILESCN1CCCC(Sc2ccccc2)C1
InChIInChI=1S/C12H17NS/c1-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
InChIKeyDYRGZFXCQFFMSI-UHFFFAOYSA-N
XLogP2.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenylsulfanylpiperidine?
The IUPAC name of 1-methyl-3-phenylsulfanylpiperidine (CID 142412320) is 1-methyl-3-phenylsulfanylpiperidine.
What is the SMILES notation for 1-methyl-3-phenylsulfanylpiperidine?
The canonical SMILES for 1-methyl-3-phenylsulfanylpiperidine is CN1CCCC(Sc2ccccc2)C1.
What is the InChIKey of 1-methyl-3-phenylsulfanylpiperidine?
The InChIKey is DYRGZFXCQFFMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3.
What are the key properties of 1-methyl-3-phenylsulfanylpiperidine?
1-methyl-3-phenylsulfanylpiperidine has a molecular weight of 207.34 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenylsulfanylpiperidine is sourced from PubChem (CID 142412320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).