1-methylsulfonyl-2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine

C13H23N5O2S — CID 91189352

IUPAC1-methylsulfonyl-2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCS(=O)(=O)N1CC(c2ncn[nH]2)CCC1N1CCCCC1
InChIInChI=1S/C13H23N5O2S/c1-21(19,20)18-9-11(13-14-10-15-16-13)5-6-12(18)17-7-3-2-4-8-17/h10-12H,2-9H2,1H3,(H,14,15,16)
InChIKeyUNFFINZVOICQFQ-UHFFFAOYSA-N
MW313.43 g/mol
LogP0.76
Rot. Bonds3

About 1-methylsulfonyl-2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine

1-methylsulfonyl-2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 91189352) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is 1-methylsulfonyl-2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name1-methylsulfonyl-2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID91189352
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name1-methylsulfonyl-2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine
SMILESCS(=O)(=O)N1CC(c2ncn[nH]2)CCC1N1CCCCC1
InChIInChI=1S/C13H23N5O2S/c1-21(19,20)18-9-11(13-14-10-15-16-13)5-6-12(18)17-7-3-2-4-8-17/h10-12H,2-9H2,1H3,(H,14,15,16)
InChIKeyUNFFINZVOICQFQ-UHFFFAOYSA-N
XLogP0.76
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methylsulfonyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 47034021
3-Methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylpiperidine
CID 53506091
piperidin-1-yl-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 71978412
(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-1-piperidin-1-ylsulfonylpiperidine
CID 94159166
1-(2-methoxy-3-methylbutyl)sulfonyl-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 138001228
N'-methyl-4-(1H-1,2,4-triazol-5-yl)-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 112159604
N'-methyl-4-(1H-1,2,4-triazol-5-yl)-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]piperidine-1-carboximidamide
CID 112159605
3-(4-Methyl-1,2,4-triazol-3-yl)-1-piperidin-1-ylsulfonylpiperidine
CID 51078769
2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine
CID 90989533
N-[2,4-dimethyl-5-(1H-1,2,4-triazol-5-yl)pentan-2-yl]methanesulfonamide
CID 123184234
N-[2-methyl-3-(1H-1,2,4-triazol-5-ylmethyl)pentan-2-yl]methanesulfonamide
CID 123538518
N-[2-methyl-4-(1H-1,2,4-triazol-5-ylmethyl)hexan-2-yl]methanesulfonamide
CID 123899262

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 1-methylsulfonyl-2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine (CID 91189352) is 1-methylsulfonyl-2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 1-methylsulfonyl-2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 1-methylsulfonyl-2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine is CS(=O)(=O)N1CC(c2ncn[nH]2)CCC1N1CCCCC1.
What is the InChIKey of 1-methylsulfonyl-2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is UNFFINZVOICQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-21(19,20)18-9-11(13-14-10-15-16-13)5-6-12(18)17-7-3-2-4-8-17/h10-12H,2-9H2,1H3,(H,14,15,16).
What are the key properties of 1-methylsulfonyl-2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine?
1-methylsulfonyl-2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 313.43 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 91189352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).