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

C12H18N6O2S — CID 63625715

IUPAC1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCc1ncc(S(=O)(=O)N2CCCC(c3nncn3C)C2)[nH]1
InChIInChI=1S/C12H18N6O2S/c1-9-13-6-11(15-9)21(19,20)18-5-3-4-10(7-18)12-16-14-8-17(12)2/h6,8,10H,3-5,7H2,1-2H3,(H,13,15)
InChIKeyREWSRUFVMGRNBZ-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.41
Rot. Bonds3

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

1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 63625715) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID63625715
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC Name1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCc1ncc(S(=O)(=O)N2CCCC(c3nncn3C)C2)[nH]1
InChIInChI=1S/C12H18N6O2S/c1-9-13-6-11(15-9)21(19,20)18-5-3-4-10(7-18)12-16-14-8-17(12)2/h6,8,10H,3-5,7H2,1-2H3,(H,13,15)
InChIKeyREWSRUFVMGRNBZ-UHFFFAOYSA-N
XLogP0.41
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine (CID 63625715) is 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine is Cc1ncc(S(=O)(=O)N2CCCC(c3nncn3C)C2)[nH]1.
What is the InChIKey of 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is REWSRUFVMGRNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-9-13-6-11(15-9)21(19,20)18-5-3-4-10(7-18)12-16-14-8-17(12)2/h6,8,10H,3-5,7H2,1-2H3,(H,13,15).
What are the key properties of 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine?
1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 310.38 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 63625715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).