1-[(4R)-4-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-2-yl]ethanone

C17H25NO4S — CID 90444401

IUPAC1-[(4R)-4-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-2-yl]ethanone
SMILESCC(=O)C1C[C@H](C)CCN1S(=O)(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H25NO4S/c1-12(2)22-15-5-7-16(8-6-15)23(20,21)18-10-9-13(3)11-17(18)14(4)19/h5-8,12-13,17H,9-11H2,1-4H3/t13-,17?/m1/s1
InChIKeyYWLYADHIENEVIA-FWJOYPJLSA-N
MW339.46 g/mol
LogP2.85
Rot. Bonds5

About 1-[(4R)-4-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-2-yl]ethanone

1-[(4R)-4-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-2-yl]ethanone (PubChem CID 90444401) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[(4R)-4-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(4R)-4-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-2-yl]ethanone
PubChem CID90444401
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name1-[(4R)-4-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-2-yl]ethanone
SMILESCC(=O)C1C[C@H](C)CCN1S(=O)(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C17H25NO4S/c1-12(2)22-15-5-7-16(8-6-15)23(20,21)18-10-9-13(3)11-17(18)14(4)19/h5-8,12-13,17H,9-11H2,1-4H3/t13-,17?/m1/s1
InChIKeyYWLYADHIENEVIA-FWJOYPJLSA-N
XLogP2.85
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422053
4-acetyl-1-(4-propan-2-yloxyphenyl)sulfonylpiperazine-2-carboxylic acid
CID 90713030
(3S,5S)-5-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-ol
CID 90444387
(2S,3S)-2-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidine-3-carboxylic acid
CID 122105016
1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 132667017
1-(3-bromo-4-chlorophenyl)sulfonyl-4-methylpiperidine-2-carboxylic acid
CID 106605662
1-(4-methylpiperidin-1-yl)-3-(4-propan-2-yloxyphenyl)sulfonylpropan-1-one
CID 110298398
N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952216
1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone
CID 63845358
1-(4-chlorophenyl)sulfonyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]pyrrolidine-2-carboxamide
CID 20846122
4-(2-methylpiperidin-1-yl)sulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 46431882
7-phenyl-4-(4-propan-2-yloxyphenyl)sulfonyl-1,4-thiazepane 1,1-dioxide
CID 121192197

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-2-yl]ethanone?
The IUPAC name of 1-[(4R)-4-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-2-yl]ethanone (CID 90444401) is 1-[(4R)-4-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-2-yl]ethanone.
What is the SMILES notation for 1-[(4R)-4-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-2-yl]ethanone?
The canonical SMILES for 1-[(4R)-4-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-2-yl]ethanone is CC(=O)C1C[C@H](C)CCN1S(=O)(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 1-[(4R)-4-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-2-yl]ethanone?
The InChIKey is YWLYADHIENEVIA-FWJOYPJLSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-12(2)22-15-5-7-16(8-6-15)23(20,21)18-10-9-13(3)11-17(18)14(4)19/h5-8,12-13,17H,9-11H2,1-4H3/t13-,17?/m1/s1.
What are the key properties of 1-[(4R)-4-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-2-yl]ethanone?
1-[(4R)-4-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-2-yl]ethanone has a molecular weight of 339.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-2-yl]ethanone is sourced from PubChem (CID 90444401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).