1-(3-methylsulfonylpropyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine

C12H22N4O2S — CID 56802732

IUPAC1-(3-methylsulfonylpropyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESCS(=O)(=O)CCCN1CCCCC1Cn1cncn1
InChIInChI=1S/C12H22N4O2S/c1-19(17,18)8-4-7-15-6-3-2-5-12(15)9-16-11-13-10-14-16/h10-12H,2-9H2,1H3
InChIKeyZACNGUYGGUCLHV-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.57
Rot. Bonds6

About 1-(3-methylsulfonylpropyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine

1-(3-methylsulfonylpropyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine (PubChem CID 56802732) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(3-methylsulfonylpropyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(3-methylsulfonylpropyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine
PubChem CID56802732
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-(3-methylsulfonylpropyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESCS(=O)(=O)CCCN1CCCCC1Cn1cncn1
InChIInChI=1S/C12H22N4O2S/c1-19(17,18)8-4-7-15-6-3-2-5-12(15)9-16-11-13-10-14-16/h10-12H,2-9H2,1H3
InChIKeyZACNGUYGGUCLHV-UHFFFAOYSA-N
XLogP0.57
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylpropyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine?
The IUPAC name of 1-(3-methylsulfonylpropyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine (CID 56802732) is 1-(3-methylsulfonylpropyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(3-methylsulfonylpropyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-(3-methylsulfonylpropyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine is CS(=O)(=O)CCCN1CCCCC1Cn1cncn1.
What is the InChIKey of 1-(3-methylsulfonylpropyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine?
The InChIKey is ZACNGUYGGUCLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-19(17,18)8-4-7-15-6-3-2-5-12(15)9-16-11-13-10-14-16/h10-12H,2-9H2,1H3.
What are the key properties of 1-(3-methylsulfonylpropyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine?
1-(3-methylsulfonylpropyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine has a molecular weight of 286.40 g/mol, XLogP of 0.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylpropyl)-2-(1,2,4-triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 56802732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).