1-(1H-imidazol-5-ylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

C13H20N6O2S — CID 75452733

IUPAC1-(1H-imidazol-5-ylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1cnnc1C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C13H20N6O2S/c1-10(2)19-9-16-17-13(19)11-4-3-5-18(7-11)22(20,21)12-6-14-8-15-12/h6,8-11H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyRDBRCUBSXRNCHG-UHFFFAOYSA-N
MW324.41 g/mol
LogP1.15
Rot. Bonds4

About 1-(1H-imidazol-5-ylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

1-(1H-imidazol-5-ylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (PubChem CID 75452733) has the molecular formula C13H20N6O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
PubChem CID75452733
Molecular FormulaC13H20N6O2S
Molecular Weight324.41 g/mol
Exact Mass324.14
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1cnnc1C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C13H20N6O2S/c1-10(2)19-9-16-17-13(19)11-4-3-5-18(7-11)22(20,21)12-6-14-8-15-12/h6,8-11H,3-5,7H2,1-2H3,(H,14,15)
InChIKeyRDBRCUBSXRNCHG-UHFFFAOYSA-N
XLogP1.15
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (CID 75452733) is 1-(1H-imidazol-5-ylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is CC(C)n1cnnc1C1CCCN(S(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is RDBRCUBSXRNCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2S/c1-10(2)19-9-16-17-13(19)11-4-3-5-18(7-11)22(20,21)12-6-14-8-15-12/h6,8-11H,3-5,7H2,1-2H3,(H,14,15).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
1-(1H-imidazol-5-ylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 324.41 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 75452733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).