4-(4-cyclopropyltriazol-1-yl)-1-methylsulfonylpiperidine

C11H18N4O2S — CID 31054267

IUPAC4-(4-cyclopropyltriazol-1-yl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(n2cc(C3CC3)nn2)CC1
InChIInChI=1S/C11H18N4O2S/c1-18(16,17)14-6-4-10(5-7-14)15-8-11(12-13-15)9-2-3-9/h8-10H,2-7H2,1H3
InChIKeyGIAWBDRHKYCTQU-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.75
Rot. Bonds3

About 4-(4-cyclopropyltriazol-1-yl)-1-methylsulfonylpiperidine

4-(4-cyclopropyltriazol-1-yl)-1-methylsulfonylpiperidine (PubChem CID 31054267) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-(4-cyclopropyltriazol-1-yl)-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name4-(4-cyclopropyltriazol-1-yl)-1-methylsulfonylpiperidine
PubChem CID31054267
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name4-(4-cyclopropyltriazol-1-yl)-1-methylsulfonylpiperidine
SMILESCS(=O)(=O)N1CCC(n2cc(C3CC3)nn2)CC1
InChIInChI=1S/C11H18N4O2S/c1-18(16,17)14-6-4-10(5-7-14)15-8-11(12-13-15)9-2-3-9/h8-10H,2-7H2,1H3
InChIKeyGIAWBDRHKYCTQU-UHFFFAOYSA-N
XLogP0.75
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyltriazol-1-yl)-1-methylsulfonylpiperidine?
The IUPAC name of 4-(4-cyclopropyltriazol-1-yl)-1-methylsulfonylpiperidine (CID 31054267) is 4-(4-cyclopropyltriazol-1-yl)-1-methylsulfonylpiperidine.
What is the SMILES notation for 4-(4-cyclopropyltriazol-1-yl)-1-methylsulfonylpiperidine?
The canonical SMILES for 4-(4-cyclopropyltriazol-1-yl)-1-methylsulfonylpiperidine is CS(=O)(=O)N1CCC(n2cc(C3CC3)nn2)CC1.
What is the InChIKey of 4-(4-cyclopropyltriazol-1-yl)-1-methylsulfonylpiperidine?
The InChIKey is GIAWBDRHKYCTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-18(16,17)14-6-4-10(5-7-14)15-8-11(12-13-15)9-2-3-9/h8-10H,2-7H2,1H3.
What are the key properties of 4-(4-cyclopropyltriazol-1-yl)-1-methylsulfonylpiperidine?
4-(4-cyclopropyltriazol-1-yl)-1-methylsulfonylpiperidine has a molecular weight of 270.36 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyltriazol-1-yl)-1-methylsulfonylpiperidine is sourced from PubChem (CID 31054267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).