1-methyl-4-(3-methylphenyl)sulfanylpiperidine

C13H19NS — CID 142206872

IUPAC1-methyl-4-(3-methylphenyl)sulfanylpiperidine
SMILESCc1cccc(SC2CCN(C)CC2)c1
InChIInChI=1S/C13H19NS/c1-11-4-3-5-13(10-11)15-12-6-8-14(2)9-7-12/h3-5,10,12H,6-9H2,1-2H3
InChIKeyKJGFKNKFRYTARB-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.18
Rot. Bonds2

About 1-methyl-4-(3-methylphenyl)sulfanylpiperidine

1-methyl-4-(3-methylphenyl)sulfanylpiperidine (PubChem CID 142206872) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 1-methyl-4-(3-methylphenyl)sulfanylpiperidine.

Molecular Properties

Compound Name1-methyl-4-(3-methylphenyl)sulfanylpiperidine
PubChem CID142206872
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name1-methyl-4-(3-methylphenyl)sulfanylpiperidine
SMILESCc1cccc(SC2CCN(C)CC2)c1
InChIInChI=1S/C13H19NS/c1-11-4-3-5-13(10-11)15-12-6-8-14(2)9-7-12/h3-5,10,12H,6-9H2,1-2H3
InChIKeyKJGFKNKFRYTARB-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylphenyl)sulfanylpiperidine?
The IUPAC name of 1-methyl-4-(3-methylphenyl)sulfanylpiperidine (CID 142206872) is 1-methyl-4-(3-methylphenyl)sulfanylpiperidine.
What is the SMILES notation for 1-methyl-4-(3-methylphenyl)sulfanylpiperidine?
The canonical SMILES for 1-methyl-4-(3-methylphenyl)sulfanylpiperidine is Cc1cccc(SC2CCN(C)CC2)c1.
What is the InChIKey of 1-methyl-4-(3-methylphenyl)sulfanylpiperidine?
The InChIKey is KJGFKNKFRYTARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-11-4-3-5-13(10-11)15-12-6-8-14(2)9-7-12/h3-5,10,12H,6-9H2,1-2H3.
What are the key properties of 1-methyl-4-(3-methylphenyl)sulfanylpiperidine?
1-methyl-4-(3-methylphenyl)sulfanylpiperidine has a molecular weight of 221.37 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylphenyl)sulfanylpiperidine is sourced from PubChem (CID 142206872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).