1-[3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone

C17H21N3O3S — CID 129357113

IUPAC1-[3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](c3ccn(C)n3)C2)c1
InChIInChI=1S/C17H21N3O3S/c1-13(21)14-5-3-7-16(11-14)24(22,23)20-9-4-6-15(12-20)17-8-10-19(2)18-17/h3,5,7-8,10-11,15H,4,6,9,12H2,1-2H3/t15-/m0/s1
InChIKeyMHZJFYHZLHLCKO-HNNXBMFYSA-N
MW347.44 g/mol
LogP2.19
Rot. Bonds4

About 1-[3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone

1-[3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone (PubChem CID 129357113) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone
PubChem CID129357113
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-[3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](c3ccn(C)n3)C2)c1
InChIInChI=1S/C17H21N3O3S/c1-13(21)14-5-3-7-16(11-14)24(22,23)20-9-4-6-15(12-20)17-8-10-19(2)18-17/h3,5,7-8,10-11,15H,4,6,9,12H2,1-2H3/t15-/m0/s1
InChIKeyMHZJFYHZLHLCKO-HNNXBMFYSA-N
XLogP2.19
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-phenylazepan-1-yl)sulfonylphenyl]ethanone
CID 90608667
1-(3-chloro-4-methoxyphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine
CID 121188731
3-methyl-5-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 129357707
1-[3-[(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]sulfonylphenyl]ethanone
CID 1457484
3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine
CID 121188695
1-[3-(3-aminopyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 62067980
8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline
CID 121188658
1-[3-[(3S)-3-methylsulfonylpyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 97354833
1-[3-(3-hydroxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 103896772
1-[3-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]ethanone
CID 121069583
1-[3-[3-(triazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 121178845
N,N-dimethyl-3-[(3R)-3-phenylpiperidin-1-yl]sulfonylbenzamide
CID 99931342

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone (CID 129357113) is 1-[3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](c3ccn(C)n3)C2)c1.
What is the InChIKey of 1-[3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is MHZJFYHZLHLCKO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-13(21)14-5-3-7-16(11-14)24(22,23)20-9-4-6-15(12-20)17-8-10-19(2)18-17/h3,5,7-8,10-11,15H,4,6,9,12H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone?
1-[3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 347.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 129357113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).