(3R)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidine

C10H18N4S — CID 7450871

IUPAC(3R)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCCSc1nnc([C@@H]2CCCNC2)n1C
InChIInChI=1S/C10H18N4S/c1-3-15-10-13-12-9(14(10)2)8-5-4-6-11-7-8/h8,11H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyZDFYXTPMEGJUDG-MRVPVSSYSA-N
MW226.35 g/mol
LogP1.39
Rot. Bonds3

About (3R)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidine

(3R)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 7450871) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is (3R)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name(3R)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID7450871
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name(3R)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCCSc1nnc([C@@H]2CCCNC2)n1C
InChIInChI=1S/C10H18N4S/c1-3-15-10-13-12-9(14(10)2)8-5-4-6-11-7-8/h8,11H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyZDFYXTPMEGJUDG-MRVPVSSYSA-N
XLogP1.39
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of (3R)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidine (CID 7450871) is (3R)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for (3R)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for (3R)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidine is CCSc1nnc([C@@H]2CCCNC2)n1C.
What is the InChIKey of (3R)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is ZDFYXTPMEGJUDG-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-3-15-10-13-12-9(14(10)2)8-5-4-6-11-7-8/h8,11H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidine?
(3R)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 226.35 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 7450871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).