phenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone

C16H22N2O3S — CID 126824892

IUPACphenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone
SMILESO=C(c1ccccc1)[C@@H]1CCCN1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H22N2O3S/c19-16(14-8-3-1-4-9-14)15-10-7-13-18(15)22(20,21)17-11-5-2-6-12-17/h1,3-4,8-9,15H,2,5-7,10-13H2/t15-/m0/s1
InChIKeyHLCISVAYJGAQPG-HNNXBMFYSA-N
MW322.43 g/mol
LogP2.06
Rot. Bonds4

About phenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone

phenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone (PubChem CID 126824892) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is phenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone
PubChem CID126824892
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Namephenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone
SMILESO=C(c1ccccc1)[C@@H]1CCCN1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H22N2O3S/c19-16(14-8-3-1-4-9-14)15-10-7-13-18(15)22(20,21)17-11-5-2-6-12-17/h1,3-4,8-9,15H,2,5-7,10-13H2/t15-/m0/s1
InChIKeyHLCISVAYJGAQPG-HNNXBMFYSA-N
XLogP2.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 31110887
[(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone
CID 176902068
[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-2-yl]-phenylmethanone
CID 110357734
(2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110394860
[(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 129367282
[1-[2-(4-fluorophenoxy)ethylsulfonyl]pyrrolidin-2-yl]-phenylmethanone
CID 110356428
(2R)-1-[4-(1H-pyrrol-3-yl)piperidin-1-yl]sulfonylpiperidine-2-carboxylic acid
CID 18727219
phenyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357683
phenyl-(4-piperidin-1-ylcyclohexyl)methanone
CID 25984
methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate
CID 79830606
[(2S,3S)-3-cyclohexyloxiran-2-yl]-phenylmethanone
CID 10242955
(2R)-2-methyl-1-(4-phenylpiperidin-1-yl)sulfonylpiperidine
CID 39699146

Frequently Asked Questions

What is the IUPAC name of phenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone?
The IUPAC name of phenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone (CID 126824892) is phenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone.
What is the SMILES notation for phenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone?
The canonical SMILES for phenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone is O=C(c1ccccc1)[C@@H]1CCCN1S(=O)(=O)N1CCCCC1.
What is the InChIKey of phenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone?
The InChIKey is HLCISVAYJGAQPG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c19-16(14-8-3-1-4-9-14)15-10-7-13-18(15)22(20,21)17-11-5-2-6-12-17/h1,3-4,8-9,15H,2,5-7,10-13H2/t15-/m0/s1.
What are the key properties of phenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone?
phenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone has a molecular weight of 322.43 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 126824892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).