1-ethylsulfonyl-4-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidine

C15H27N5O2S — CID 28767502

IUPAC1-ethylsulfonyl-4-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidine
SMILESCCS(=O)(=O)N1CCC(Cn2cc(CN3CCCC3)nn2)CC1
InChIInChI=1S/C15H27N5O2S/c1-2-23(21,22)20-9-5-14(6-10-20)11-19-13-15(16-17-19)12-18-7-3-4-8-18/h13-14H,2-12H2,1H3
InChIKeyCORYBRGGNCUAPQ-UHFFFAOYSA-N
MW341.48 g/mol
LogP0.94
Rot. Bonds6

About 1-ethylsulfonyl-4-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidine

1-ethylsulfonyl-4-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidine (PubChem CID 28767502) has the molecular formula C15H27N5O2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidine
PubChem CID28767502
Molecular FormulaC15H27N5O2S
Molecular Weight341.48 g/mol
Exact Mass341.19
IUPAC Name1-ethylsulfonyl-4-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidine
SMILESCCS(=O)(=O)N1CCC(Cn2cc(CN3CCCC3)nn2)CC1
InChIInChI=1S/C15H27N5O2S/c1-2-23(21,22)20-9-5-14(6-10-20)11-19-13-15(16-17-19)12-18-7-3-4-8-18/h13-14H,2-12H2,1H3
InChIKeyCORYBRGGNCUAPQ-UHFFFAOYSA-N
XLogP0.94
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]triazol-4-yl]methanamine
CID 129496227
4-[(3,4-dimethylpyrazol-1-yl)methyl]-1-ethylsulfonylpiperidine
CID 130312588
(3S)-3-[[4-[(3,3-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]methyl]-1-methylsulfonylpiperidine
CID 30877153
1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine
CID 90495378
(2R)-2-amino-1-[4-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 31134660
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 154924797
(3S)-N-ethyl-3-[[4-(thiomorpholin-4-ylmethyl)triazol-1-yl]methyl]piperidine-1-carboxamide
CID 31224969
4-(bromomethyl)-1-(cyclopentylmethyl)triazole
CID 62400118
3-[[4-(2-chloroethyl)triazol-1-yl]methyl]-1-methylsulfonylpiperidine
CID 79622809
cycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
CID 46986620
4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-ethylsulfonylpiperidine
CID 70781308
3-[1-[[1-(cycloheptanecarbonyl)piperidin-4-yl]methyl]triazol-4-yl]propanoic acid
CID 46987392

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidine?
The IUPAC name of 1-ethylsulfonyl-4-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidine (CID 28767502) is 1-ethylsulfonyl-4-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidine.
What is the SMILES notation for 1-ethylsulfonyl-4-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidine?
The canonical SMILES for 1-ethylsulfonyl-4-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidine is CCS(=O)(=O)N1CCC(Cn2cc(CN3CCCC3)nn2)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidine?
The InChIKey is CORYBRGGNCUAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2S/c1-2-23(21,22)20-9-5-14(6-10-20)11-19-13-15(16-17-19)12-18-7-3-4-8-18/h13-14H,2-12H2,1H3.
What are the key properties of 1-ethylsulfonyl-4-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidine?
1-ethylsulfonyl-4-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidine has a molecular weight of 341.48 g/mol, XLogP of 0.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidine is sourced from PubChem (CID 28767502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).