(2R)-1-(2-fluorophenyl)sulfonyl-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine

C15H19FN4O3S — CID 129487538

IUPAC(2R)-1-(2-fluorophenyl)sulfonyl-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
SMILESCOCc1nc([C@H]2CCCCN2S(=O)(=O)c2ccccc2F)n[nH]1
InChIInChI=1S/C15H19FN4O3S/c1-23-10-14-17-15(19-18-14)12-7-4-5-9-20(12)24(21,22)13-8-3-2-6-11(13)16/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,17,18,19)/t12-/m1/s1
InChIKeyYBYGLPWTOXBCAE-GFCCVEGCSA-N
MW354.41 g/mol
LogP2.01
Rot. Bonds5

About (2R)-1-(2-fluorophenyl)sulfonyl-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine

(2R)-1-(2-fluorophenyl)sulfonyl-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine (PubChem CID 129487538) has the molecular formula C15H19FN4O3S and a molecular weight of 354.41 g/mol. Its IUPAC name is (2R)-1-(2-fluorophenyl)sulfonyl-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name(2R)-1-(2-fluorophenyl)sulfonyl-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
PubChem CID129487538
Molecular FormulaC15H19FN4O3S
Molecular Weight354.41 g/mol
Exact Mass354.12
IUPAC Name(2R)-1-(2-fluorophenyl)sulfonyl-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
SMILESCOCc1nc([C@H]2CCCCN2S(=O)(=O)c2ccccc2F)n[nH]1
InChIInChI=1S/C15H19FN4O3S/c1-23-10-14-17-15(19-18-14)12-7-4-5-9-20(12)24(21,22)13-8-3-2-6-11(13)16/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,17,18,19)/t12-/m1/s1
InChIKeyYBYGLPWTOXBCAE-GFCCVEGCSA-N
XLogP2.01
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(2,6-difluorophenyl)methyl]-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 129487395
1-(2-fluorophenyl)sulfonyl-2-(4-methoxyphenyl)azepane
CID 53096243
(2S)-1-(2-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95079257
(2S)-1-(5-fluoro-2-methylphenyl)sulfonyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 129491237
2-(4-ethyl-1,2,4-triazol-3-yl)-1-(2-fluorophenyl)sulfonylpiperidine
CID 87052122
4-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine
CID 124967389
1-(2-fluorophenyl)sulfonyl-2-propylpiperidine
CID 83052559
3-(1-benzylsulfonylpyrrolidin-2-yl)-5-ethyl-1H-1,2,4-triazole
CID 87052072
2-methyl-6-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylbenzonitrile
CID 119051789
3-[(2R)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-6-(trifluoromethyl)pyridazine
CID 129487497
3-[(2S)-1-(benzenesulfonyl)azepan-2-yl]-5-(methoxymethyl)-1,2,4-oxadiazole
CID 97344881
2-(bromomethyl)-1-(2-fluorophenyl)sulfonylazepane
CID 116639734

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-fluorophenyl)sulfonyl-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of (2R)-1-(2-fluorophenyl)sulfonyl-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine (CID 129487538) is (2R)-1-(2-fluorophenyl)sulfonyl-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for (2R)-1-(2-fluorophenyl)sulfonyl-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for (2R)-1-(2-fluorophenyl)sulfonyl-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine is COCc1nc([C@H]2CCCCN2S(=O)(=O)c2ccccc2F)n[nH]1.
What is the InChIKey of (2R)-1-(2-fluorophenyl)sulfonyl-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine?
The InChIKey is YBYGLPWTOXBCAE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19FN4O3S/c1-23-10-14-17-15(19-18-14)12-7-4-5-9-20(12)24(21,22)13-8-3-2-6-11(13)16/h2-3,6,8,12H,4-5,7,9-10H2,1H3,(H,17,18,19)/t12-/m1/s1.
What are the key properties of (2R)-1-(2-fluorophenyl)sulfonyl-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine?
(2R)-1-(2-fluorophenyl)sulfonyl-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine has a molecular weight of 354.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-fluorophenyl)sulfonyl-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 129487538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).