3-[2-(2-methylphenyl)sulfanylethyl]piperidine

C14H21NS — CID 62357221

IUPAC3-[2-(2-methylphenyl)sulfanylethyl]piperidine
SMILESCc1ccccc1SCCC1CCCNC1
InChIInChI=1S/C14H21NS/c1-12-5-2-3-7-14(12)16-10-8-13-6-4-9-15-11-13/h2-3,5,7,13,15H,4,6,8-11H2,1H3
InChIKeyQRXKJXRZJUCASZ-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.48
Rot. Bonds4

About 3-[2-(2-methylphenyl)sulfanylethyl]piperidine

3-[2-(2-methylphenyl)sulfanylethyl]piperidine (PubChem CID 62357221) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 3-[2-(2-methylphenyl)sulfanylethyl]piperidine.

Molecular Properties

Compound Name3-[2-(2-methylphenyl)sulfanylethyl]piperidine
PubChem CID62357221
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name3-[2-(2-methylphenyl)sulfanylethyl]piperidine
SMILESCc1ccccc1SCCC1CCCNC1
InChIInChI=1S/C14H21NS/c1-12-5-2-3-7-14(12)16-10-8-13-6-4-9-15-11-13/h2-3,5,7,13,15H,4,6,8-11H2,1H3
InChIKeyQRXKJXRZJUCASZ-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-(2-piperidin-3-ylethylsulfanyl)aniline
CID 62358057
1-(2-methylphenyl)-2-piperidin-3-ylethanol
CID 84685007
2-(2-piperidin-3-ylethylsulfanyl)-1,3-benzothiazole
CID 62358217
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
3-[2-(1-phenylethoxy)ethyl]piperidine
CID 62355840
3-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 63459585
3-[2-(2-methylphenoxy)propyl]piperidine
CID 105493581
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 62357888
2-methylsulfanyl-N-(piperidin-3-ylmethyl)aniline
CID 80553558
N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624032
3-[(2-methylphenyl)methoxymethyl]piperidine;hydrochloride
CID 46735612

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylphenyl)sulfanylethyl]piperidine?
The IUPAC name of 3-[2-(2-methylphenyl)sulfanylethyl]piperidine (CID 62357221) is 3-[2-(2-methylphenyl)sulfanylethyl]piperidine.
What is the SMILES notation for 3-[2-(2-methylphenyl)sulfanylethyl]piperidine?
The canonical SMILES for 3-[2-(2-methylphenyl)sulfanylethyl]piperidine is Cc1ccccc1SCCC1CCCNC1.
What is the InChIKey of 3-[2-(2-methylphenyl)sulfanylethyl]piperidine?
The InChIKey is QRXKJXRZJUCASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-12-5-2-3-7-14(12)16-10-8-13-6-4-9-15-11-13/h2-3,5,7,13,15H,4,6,8-11H2,1H3.
What are the key properties of 3-[2-(2-methylphenyl)sulfanylethyl]piperidine?
3-[2-(2-methylphenyl)sulfanylethyl]piperidine has a molecular weight of 235.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylphenyl)sulfanylethyl]piperidine is sourced from PubChem (CID 62357221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).