[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone

C22H28N2O3S — CID 8779612

IUPAC[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H28N2O3S/c1-16-7-5-8-17(2)24(16)22(25)21-11-6-14-23(21)28(26,27)20-13-12-18-9-3-4-10-19(18)15-20/h3-4,9-10,12-13,15-17,21H,5-8,11,14H2,1-2H3/t16-,17-,21+/m1/s1
InChIKeyNZUZVDKQTDWABY-LZJOCLMNSA-N
MW400.54 g/mol
LogP3.78
Rot. Bonds3

About [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone

[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone (PubChem CID 8779612) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone
PubChem CID8779612
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H28N2O3S/c1-16-7-5-8-17(2)24(16)22(25)21-11-6-14-23(21)28(26,27)20-13-12-18-9-3-4-10-19(18)15-20/h3-4,9-10,12-13,15-17,21H,5-8,11,14H2,1-2H3/t16-,17-,21+/m1/s1
InChIKeyNZUZVDKQTDWABY-LZJOCLMNSA-N
XLogP3.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone with MolForge

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Related Compounds

[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 8795472
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
(2S)-1-naphthalen-2-ylsulfonyl-N,N-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 8779523
(2R)-1-naphthalen-2-ylsulfonyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 8779363
(2R)-1-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)pyrrolidine-2-carboxamide
CID 8779584
N-ethyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 6460526
(2S)-N-cyclopropyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 2295117
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone
CID 8692234
N-benzhydryl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 42696103
(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7421735
dimethyl-[(2S)-2-methyl-3-[[(2R)-1-naphthalen-2-ylsulfonylpyrrolidine-2-carbonyl]amino]propyl]azanium
CID 8779487
(1-methylsulfonylpiperidin-2-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 24585778

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone?
The IUPAC name of [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone (CID 8779612) is [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone.
What is the SMILES notation for [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone?
The canonical SMILES for [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone is C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone?
The InChIKey is NZUZVDKQTDWABY-LZJOCLMNSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-16-7-5-8-17(2)24(16)22(25)21-11-6-14-23(21)28(26,27)20-13-12-18-9-3-4-10-19(18)15-20/h3-4,9-10,12-13,15-17,21H,5-8,11,14H2,1-2H3/t16-,17-,21+/m1/s1.
What are the key properties of [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone?
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone has a molecular weight of 400.54 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 8779612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).