1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(triazol-1-yl)piperidine

C13H20N6O2S — CID 75472865

IUPAC1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(triazol-1-yl)piperidine
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(n3ccnn3)CC2)c1
InChIInChI=1S/C13H20N6O2S/c1-11(2)17-9-13(14-10-17)22(20,21)18-6-3-12(4-7-18)19-8-5-15-16-19/h5,8-12H,3-4,6-7H2,1-2H3
InChIKeyWTGVOLNBFSPTAI-UHFFFAOYSA-N
MW324.41 g/mol
LogP1.08
Rot. Bonds4

About 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(triazol-1-yl)piperidine

1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(triazol-1-yl)piperidine (PubChem CID 75472865) has the molecular formula C13H20N6O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(triazol-1-yl)piperidine.

Molecular Properties

Compound Name1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(triazol-1-yl)piperidine
PubChem CID75472865
Molecular FormulaC13H20N6O2S
Molecular Weight324.41 g/mol
Exact Mass324.14
IUPAC Name1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(triazol-1-yl)piperidine
SMILESCC(C)n1cnc(S(=O)(=O)N2CCC(n3ccnn3)CC2)c1
InChIInChI=1S/C13H20N6O2S/c1-11(2)17-9-13(14-10-17)22(20,21)18-6-3-12(4-7-18)19-8-5-15-16-19/h5,8-12H,3-4,6-7H2,1-2H3
InChIKeyWTGVOLNBFSPTAI-UHFFFAOYSA-N
XLogP1.08
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(triazol-1-yl)piperidine?
The IUPAC name of 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(triazol-1-yl)piperidine (CID 75472865) is 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(triazol-1-yl)piperidine.
What is the SMILES notation for 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(triazol-1-yl)piperidine?
The canonical SMILES for 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(triazol-1-yl)piperidine is CC(C)n1cnc(S(=O)(=O)N2CCC(n3ccnn3)CC2)c1.
What is the InChIKey of 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(triazol-1-yl)piperidine?
The InChIKey is WTGVOLNBFSPTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2S/c1-11(2)17-9-13(14-10-17)22(20,21)18-6-3-12(4-7-18)19-8-5-15-16-19/h5,8-12H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(triazol-1-yl)piperidine?
1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(triazol-1-yl)piperidine has a molecular weight of 324.41 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylimidazol-4-yl)sulfonyl-4-(triazol-1-yl)piperidine is sourced from PubChem (CID 75472865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).