3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]piperidine

C11H19N3S — CID 62403237

IUPAC3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]piperidine
SMILESCc1cc(SCC2CCCNC2)n(C)n1
InChIInChI=1S/C11H19N3S/c1-9-6-11(14(2)13-9)15-8-10-4-3-5-12-7-10/h6,10,12H,3-5,7-8H2,1-2H3
InChIKeyMENBLAVKBCIUJH-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.82
Rot. Bonds3

About 3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]piperidine

3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]piperidine (PubChem CID 62403237) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]piperidine.

Molecular Properties

Compound Name3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]piperidine
PubChem CID62403237
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]piperidine
SMILESCc1cc(SCC2CCCNC2)n(C)n1
InChIInChI=1S/C11H19N3S/c1-9-6-11(14(2)13-9)15-8-10-4-3-5-12-7-10/h6,10,12H,3-5,7-8H2,1-2H3
InChIKeyMENBLAVKBCIUJH-UHFFFAOYSA-N
XLogP1.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]piperidine?
The IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]piperidine (CID 62403237) is 3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]piperidine.
What is the SMILES notation for 3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]piperidine?
The canonical SMILES for 3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]piperidine is Cc1cc(SCC2CCCNC2)n(C)n1.
What is the InChIKey of 3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]piperidine?
The InChIKey is MENBLAVKBCIUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9-6-11(14(2)13-9)15-8-10-4-3-5-12-7-10/h6,10,12H,3-5,7-8H2,1-2H3.
What are the key properties of 3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]piperidine?
3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]piperidine has a molecular weight of 225.36 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]piperidine is sourced from PubChem (CID 62403237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).