5-methyl-2-(2-piperidin-3-ylethylsulfanyl)aniline

C14H22N2S — CID 62358057

IUPAC5-methyl-2-(2-piperidin-3-ylethylsulfanyl)aniline
SMILESCc1ccc(SCCC2CCCNC2)c(N)c1
InChIInChI=1S/C14H22N2S/c1-11-4-5-14(13(15)9-11)17-8-6-12-3-2-7-16-10-12/h4-5,9,12,16H,2-3,6-8,10,15H2,1H3
InChIKeyONOBEUKJZSMRHQ-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.06
Rot. Bonds4

About 5-methyl-2-(2-piperidin-3-ylethylsulfanyl)aniline

5-methyl-2-(2-piperidin-3-ylethylsulfanyl)aniline (PubChem CID 62358057) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 5-methyl-2-(2-piperidin-3-ylethylsulfanyl)aniline.

Molecular Properties

Compound Name5-methyl-2-(2-piperidin-3-ylethylsulfanyl)aniline
PubChem CID62358057
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name5-methyl-2-(2-piperidin-3-ylethylsulfanyl)aniline
SMILESCc1ccc(SCCC2CCCNC2)c(N)c1
InChIInChI=1S/C14H22N2S/c1-11-4-5-14(13(15)9-11)17-8-6-12-3-2-7-16-10-12/h4-5,9,12,16H,2-3,6-8,10,15H2,1H3
InChIKeyONOBEUKJZSMRHQ-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-methylphenyl)sulfanylethyl]piperidine
CID 62357221
4-methyl-2-(piperidin-3-ylmethyl)aniline
CID 105456884
5-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]aniline
CID 43302287
3-[(4-methylphenyl)sulfanylmethyl]piperidine;hydrochloride
CID 72716539
2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 62538178
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
(3S)-3-[2-(2-chloro-4-methylphenoxy)ethyl]piperidine
CID 86320313
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211401
(1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 81349439
4-methyl-2-(piperidin-3-ylmethylsulfanyl)pyridine
CID 71639030
3-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 63459585
3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine
CID 84799772

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-piperidin-3-ylethylsulfanyl)aniline?
The IUPAC name of 5-methyl-2-(2-piperidin-3-ylethylsulfanyl)aniline (CID 62358057) is 5-methyl-2-(2-piperidin-3-ylethylsulfanyl)aniline.
What is the SMILES notation for 5-methyl-2-(2-piperidin-3-ylethylsulfanyl)aniline?
The canonical SMILES for 5-methyl-2-(2-piperidin-3-ylethylsulfanyl)aniline is Cc1ccc(SCCC2CCCNC2)c(N)c1.
What is the InChIKey of 5-methyl-2-(2-piperidin-3-ylethylsulfanyl)aniline?
The InChIKey is ONOBEUKJZSMRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-11-4-5-14(13(15)9-11)17-8-6-12-3-2-7-16-10-12/h4-5,9,12,16H,2-3,6-8,10,15H2,1H3.
What are the key properties of 5-methyl-2-(2-piperidin-3-ylethylsulfanyl)aniline?
5-methyl-2-(2-piperidin-3-ylethylsulfanyl)aniline has a molecular weight of 250.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-piperidin-3-ylethylsulfanyl)aniline is sourced from PubChem (CID 62358057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).