[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone

C20H24N2O3S — CID 124504662

IUPAC[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)N1CCCC1
InChIInChI=1S/C20H24N2O3S/c23-20(21-11-3-4-12-21)18-8-5-13-22(15-18)26(24,25)19-10-9-16-6-1-2-7-17(16)14-19/h1-2,6-7,9-10,14,18H,3-5,8,11-13,15H2/t18-/m1/s1
InChIKeyWBCZQIOAUPHTFF-GOSISDBHSA-N
MW372.49 g/mol
LogP2.86
Rot. Bonds3

About [(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 124504662) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is [(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID124504662
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)N1CCCC1
InChIInChI=1S/C20H24N2O3S/c23-20(21-11-3-4-12-21)18-8-5-13-22(15-18)26(24,25)19-10-9-16-6-1-2-7-17(16)14-19/h1-2,6-7,9-10,14,18H,3-5,8,11-13,15H2/t18-/m1/s1
InChIKeyWBCZQIOAUPHTFF-GOSISDBHSA-N
XLogP2.86
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612
(3S)-N-(4-hydroxycyclohexyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 11502569
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide
CID 4684175
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976117
(3R)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976116
[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 7258408
azepan-1-yl-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 41302489
azepan-1-yl-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1090468
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
(3R)-1-naphthalen-2-ylsulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 40591179
(3S)-1-naphthalen-2-ylsulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 40591181

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 124504662) is [(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone is O=C([C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)N1CCCC1.
What is the InChIKey of [(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is WBCZQIOAUPHTFF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-20(21-11-3-4-12-21)18-8-5-13-22(15-18)26(24,25)19-10-9-16-6-1-2-7-17(16)14-19/h1-2,6-7,9-10,14,18H,3-5,8,11-13,15H2/t18-/m1/s1.
What are the key properties of [(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 372.49 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-naphthalen-2-ylsulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 124504662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).