[1-[1-(1-phenyltriazol-4-yl)ethyl]piperidin-3-yl]methanesulfonamide

C16H23N5O2S — CID 71918197

IUPAC[1-[1-(1-phenyltriazol-4-yl)ethyl]piperidin-3-yl]methanesulfonamide
SMILESCC(c1cn(-c2ccccc2)nn1)N1CCCC(CS(N)(=O)=O)C1
InChIInChI=1S/C16H23N5O2S/c1-13(20-9-5-6-14(10-20)12-24(17,22)23)16-11-21(19-18-16)15-7-3-2-4-8-15/h2-4,7-8,11,13-14H,5-6,9-10,12H2,1H3,(H2,17,22,23)
InChIKeyAHXBFJKYFGUGIU-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.33
Rot. Bonds5

About [1-[1-(1-phenyltriazol-4-yl)ethyl]piperidin-3-yl]methanesulfonamide

[1-[1-(1-phenyltriazol-4-yl)ethyl]piperidin-3-yl]methanesulfonamide (PubChem CID 71918197) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is [1-[1-(1-phenyltriazol-4-yl)ethyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[1-(1-phenyltriazol-4-yl)ethyl]piperidin-3-yl]methanesulfonamide
PubChem CID71918197
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name[1-[1-(1-phenyltriazol-4-yl)ethyl]piperidin-3-yl]methanesulfonamide
SMILESCC(c1cn(-c2ccccc2)nn1)N1CCCC(CS(N)(=O)=O)C1
InChIInChI=1S/C16H23N5O2S/c1-13(20-9-5-6-14(10-20)12-24(17,22)23)16-11-21(19-18-16)15-7-3-2-4-8-15/h2-4,7-8,11,13-14H,5-6,9-10,12H2,1H3,(H2,17,22,23)
InChIKeyAHXBFJKYFGUGIU-UHFFFAOYSA-N
XLogP1.33
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-Cyclohexyltriazol-1-yl)benzenesulfonamide
CID 118711612
2-[[1-[(3,5-Dimethylphenyl)methyl]triazol-4-yl]methyl]-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 53300538
2-[(1-Hexyltriazol-4-yl)methyl]-4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 53300541
2-[(1-Benzyltriazol-4-yl)methyl]-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 53300555
4-(4-Hexylpiperazin-1-yl)-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 53300558
2-[[1-[(3,5-Dimethylphenyl)methyl]triazol-4-yl]methyl]-4-(4-hexylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 53300559
N,N-dimethyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-1,2-thiazolidin-4-amine
CID 53301295
N-ethyl-2-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-1,2-thiazolidin-4-amine
CID 53301306
2-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine
CID 53301321
2-[[1-[(4-Fluorophenyl)methyl]triazol-4-yl]methyl]-4-(4-methylpiperazin-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 53301341
4-(4-Methylpiperazin-1-yl)-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 53301345
4-(4-Methylpiperazin-1-yl)-2-[[1-[[3-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]-1,2-thiazolidine 1,1-dioxide
CID 53301346

Frequently Asked Questions

What is the IUPAC name of [1-[1-(1-phenyltriazol-4-yl)ethyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of [1-[1-(1-phenyltriazol-4-yl)ethyl]piperidin-3-yl]methanesulfonamide (CID 71918197) is [1-[1-(1-phenyltriazol-4-yl)ethyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-[1-(1-phenyltriazol-4-yl)ethyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-[1-(1-phenyltriazol-4-yl)ethyl]piperidin-3-yl]methanesulfonamide is CC(c1cn(-c2ccccc2)nn1)N1CCCC(CS(N)(=O)=O)C1.
What is the InChIKey of [1-[1-(1-phenyltriazol-4-yl)ethyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is AHXBFJKYFGUGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-13(20-9-5-6-14(10-20)12-24(17,22)23)16-11-21(19-18-16)15-7-3-2-4-8-15/h2-4,7-8,11,13-14H,5-6,9-10,12H2,1H3,(H2,17,22,23).
What are the key properties of [1-[1-(1-phenyltriazol-4-yl)ethyl]piperidin-3-yl]methanesulfonamide?
[1-[1-(1-phenyltriazol-4-yl)ethyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(1-phenyltriazol-4-yl)ethyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 71918197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).