2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine

C11H20N4S — CID 63460492

IUPAC2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
SMILESCc1nnc(SCCC2CCCCN2)n1C
InChIInChI=1S/C11H20N4S/c1-9-13-14-11(15(9)2)16-8-6-10-5-3-4-7-12-10/h10,12H,3-8H2,1-2H3
InChIKeySDCWGWOHCWWBHK-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.75
Rot. Bonds4

About 2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine

2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine (PubChem CID 63460492) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine.

Molecular Properties

Compound Name2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
PubChem CID63460492
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
SMILESCc1nnc(SCCC2CCCCN2)n1C
InChIInChI=1S/C11H20N4S/c1-9-13-14-11(15(9)2)16-8-6-10-5-3-4-7-12-10/h10,12H,3-8H2,1-2H3
InChIKeySDCWGWOHCWWBHK-UHFFFAOYSA-N
XLogP1.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethyl-5-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]-1,2,4-triazole
CID 102820369
3-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 63459585
3-(2-piperidin-2-ylethylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one
CID 55128952
4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride
CID 72716590
1-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)tetrazole
CID 62480319
2-(2-phenylsulfanylethyl)azepane
CID 79223210
2-[2-(5-methyltriazol-1-yl)ethyl]piperidine
CID 82222439
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
CID 60626166
2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 154883622
2-[2-(4-fluorophenyl)sulfanylethyl]piperidine;hydrochloride
CID 72716584
N-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-methylcyclohexan-1-amine
CID 63515997
(2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine
CID 97301377

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine?
The IUPAC name of 2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine (CID 63460492) is 2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine.
What is the SMILES notation for 2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine?
The canonical SMILES for 2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine is Cc1nnc(SCCC2CCCCN2)n1C.
What is the InChIKey of 2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine?
The InChIKey is SDCWGWOHCWWBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-9-13-14-11(15(9)2)16-8-6-10-5-3-4-7-12-10/h10,12H,3-8H2,1-2H3.
What are the key properties of 2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine?
2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine has a molecular weight of 240.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine is sourced from PubChem (CID 63460492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).