1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

C16H26N6O2S — CID 138998814

IUPAC1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)c1ncc(S(=O)(=O)N2CCCC(c3nncn3C(C)C)C2)[nH]1
InChIInChI=1S/C16H26N6O2S/c1-11(2)15-17-8-14(19-15)25(23,24)21-7-5-6-13(9-21)16-20-18-10-22(16)12(3)4/h8,10-13H,5-7,9H2,1-4H3,(H,17,19)
InChIKeyPUEUKHLPMJZVOF-UHFFFAOYSA-N
MW366.49 g/mol
LogP2.27
Rot. Bonds5

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

1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (PubChem CID 138998814) has the molecular formula C16H26N6O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
PubChem CID138998814
Molecular FormulaC16H26N6O2S
Molecular Weight366.49 g/mol
Exact Mass366.18
IUPAC Name1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)c1ncc(S(=O)(=O)N2CCCC(c3nncn3C(C)C)C2)[nH]1
InChIInChI=1S/C16H26N6O2S/c1-11(2)15-17-8-14(19-15)25(23,24)21-7-5-6-13(9-21)16-20-18-10-22(16)12(3)4/h8,10-13H,5-7,9H2,1-4H3,(H,17,19)
InChIKeyPUEUKHLPMJZVOF-UHFFFAOYSA-N
XLogP2.27
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (CID 138998814) is 1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is CC(C)c1ncc(S(=O)(=O)N2CCCC(c3nncn3C(C)C)C2)[nH]1.
What is the InChIKey of 1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is PUEUKHLPMJZVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2S/c1-11(2)15-17-8-14(19-15)25(23,24)21-7-5-6-13(9-21)16-20-18-10-22(16)12(3)4/h8,10-13H,5-7,9H2,1-4H3,(H,17,19).
What are the key properties of 1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 366.49 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 138998814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).