(3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-piperidin-1-ylbutanoic acid

C19H22N2O5S — CID 54460606

IUPAC(3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-piperidin-1-ylbutanoic acid
SMILESO=C(O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCCCC1
InChIInChI=1S/C19H22N2O5S/c22-18(23)13-17(19(24)21-10-4-1-5-11-21)20-27(25,26)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12,17,20H,1,4-5,10-11,13H2,(H,22,23)/t17-/m0/s1
InChIKeyXBIPGYODDSJAFQ-KRWDZBQOSA-N
MW390.46 g/mol
LogP1.97
Rot. Bonds6

About (3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-piperidin-1-ylbutanoic acid

(3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-piperidin-1-ylbutanoic acid (PubChem CID 54460606) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is (3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-piperidin-1-ylbutanoic acid.

Molecular Properties

Compound Name(3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-piperidin-1-ylbutanoic acid
PubChem CID54460606
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name(3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-piperidin-1-ylbutanoic acid
SMILESO=C(O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCCCC1
InChIInChI=1S/C19H22N2O5S/c22-18(23)13-17(19(24)21-10-4-1-5-11-21)20-27(25,26)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12,17,20H,1,4-5,10-11,13H2,(H,22,23)/t17-/m0/s1
InChIKeyXBIPGYODDSJAFQ-KRWDZBQOSA-N
XLogP1.97
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-5-(3-aminophenyl)-1-oxo-1-piperidin-1-ylpent-4-yn-2-yl]naphthalene-2-sulfonamide
CID 142629304
4-[5-(diaminomethylideneamino)-2-(naphthalen-2-ylsulfonylamino)pentanoyl]piperazine-1-carboxylic acid
CID 66994465
ethyl 1-[(2S)-2-(naphthalen-2-ylsulfonylamino)-4-oxo-4-phenylmethoxybutanoyl]piperidine-4-carboxylate
CID 10460272
N-[3-[4-[[ethyl(methyl)amino]methyl]phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanamide
CID 21070335
(2R)-3-[[3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]-2-(naphthalen-2-ylsulfonylamino)-3-oxopropanoic acid
CID 10257341
(2R)-1-(azepan-1-yl)-2-naphthalen-2-ylsulfonylpropan-1-one
CID 94149675
(3S)-3-(2-chlorophenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid
CID 2431733
N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 6724353
(2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride
CID 70154426
N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 1095030
N-[3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)acetamide
CID 4406
4-chloro-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 110347324

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-piperidin-1-ylbutanoic acid?
The IUPAC name of (3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-piperidin-1-ylbutanoic acid (CID 54460606) is (3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-piperidin-1-ylbutanoic acid.
What is the SMILES notation for (3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-piperidin-1-ylbutanoic acid?
The canonical SMILES for (3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-piperidin-1-ylbutanoic acid is O=C(O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCCCC1.
What is the InChIKey of (3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-piperidin-1-ylbutanoic acid?
The InChIKey is XBIPGYODDSJAFQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O5S/c22-18(23)13-17(19(24)21-10-4-1-5-11-21)20-27(25,26)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12,17,20H,1,4-5,10-11,13H2,(H,22,23)/t17-/m0/s1.
What are the key properties of (3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-piperidin-1-ylbutanoic acid?
(3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-piperidin-1-ylbutanoic acid has a molecular weight of 390.46 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(naphthalen-2-ylsulfonylamino)-4-oxo-4-piperidin-1-ylbutanoic acid is sourced from PubChem (CID 54460606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).