[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate

C21H26N2O5S — CID 7906483

IUPAC[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESC[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H26N2O5S/c1-15-6-5-7-16(2)23(15)20(24)14-28-21(25)13-22-29(26,27)19-11-10-17-8-3-4-9-18(17)12-19/h3-4,8-12,15-16,22H,5-7,13-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyVEMZFXZVEJAOMM-HOTGVXAUSA-N
MW418.52 g/mol
LogP2.45
Rot. Bonds6

About [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate

[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate (PubChem CID 7906483) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
PubChem CID7906483
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESC[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H26N2O5S/c1-15-6-5-7-16(2)23(15)20(24)14-28-21(25)13-22-29(26,27)19-11-10-17-8-3-4-9-18(17)12-19/h3-4,8-12,15-16,22H,5-7,13-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyVEMZFXZVEJAOMM-HOTGVXAUSA-N
XLogP2.45
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate with MolForge

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Related Compounds

[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-acetamidophenyl)sulfonylamino]acetate
CID 7826797
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499614
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906475
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499682
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 42982393
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate
CID 9319445
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499700
N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 1072533
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
CID 11932607
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 7906445
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone
CID 8692234
[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2503577

Frequently Asked Questions

What is the IUPAC name of [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The IUPAC name of [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate (CID 7906483) is [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate.
What is the SMILES notation for [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The canonical SMILES for [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate is C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The InChIKey is VEMZFXZVEJAOMM-HOTGVXAUSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-15-6-5-7-16(2)23(15)20(24)14-28-21(25)13-22-29(26,27)19-11-10-17-8-3-4-9-18(17)12-19/h3-4,8-12,15-16,22H,5-7,13-14H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate has a molecular weight of 418.52 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 7906483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).