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

C10H18N4S — CID 62355849

IUPAC3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
SMILESCc1nc(SCCC2CCCNC2)n[nH]1
InChIInChI=1S/C10H18N4S/c1-8-12-10(14-13-8)15-6-4-9-3-2-5-11-7-9/h9,11H,2-7H2,1H3,(H,12,13,14)
InChIKeyKIGLKOUZJZLJLF-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.59
Rot. Bonds4

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

3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine (PubChem CID 62355849) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine.

Molecular Properties

Compound Name3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
PubChem CID62355849
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
SMILESCc1nc(SCCC2CCCNC2)n[nH]1
InChIInChI=1S/C10H18N4S/c1-8-12-10(14-13-8)15-6-4-9-3-2-5-11-7-9/h9,11H,2-7H2,1H3,(H,12,13,14)
InChIKeyKIGLKOUZJZLJLF-UHFFFAOYSA-N
XLogP1.59
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine?
The IUPAC name of 3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine (CID 62355849) is 3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine.
What is the SMILES notation for 3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine?
The canonical SMILES for 3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine is Cc1nc(SCCC2CCCNC2)n[nH]1.
What is the InChIKey of 3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine?
The InChIKey is KIGLKOUZJZLJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-8-12-10(14-13-8)15-6-4-9-3-2-5-11-7-9/h9,11H,2-7H2,1H3,(H,12,13,14).
What are the key properties of 3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine?
3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine has a molecular weight of 226.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine is sourced from PubChem (CID 62355849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).