(3R,5R)-3-methoxy-5-(4-methylphenyl)sulfonyl-1-prop-2-enylpiperidine-2,6-dione

C16H19NO5S — CID 101351558

IUPAC(3R,5R)-3-methoxy-5-(4-methylphenyl)sulfonyl-1-prop-2-enylpiperidine-2,6-dione
SMILESC=CCN1C(=O)[C@H](S(=O)(=O)c2ccc(C)cc2)C[C@@H](OC)C1=O
InChIInChI=1S/C16H19NO5S/c1-4-9-17-15(18)13(22-3)10-14(16(17)19)23(20,21)12-7-5-11(2)6-8-12/h4-8,13-14H,1,9-10H2,2-3H3/t13-,14-/m1/s1
InChIKeyJSDWYFKFQVBQJX-ZIAGYGMSSA-N
MW337.40 g/mol
LogP1.10
Rot. Bonds5

About (3R,5R)-3-methoxy-5-(4-methylphenyl)sulfonyl-1-prop-2-enylpiperidine-2,6-dione

(3R,5R)-3-methoxy-5-(4-methylphenyl)sulfonyl-1-prop-2-enylpiperidine-2,6-dione (PubChem CID 101351558) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is (3R,5R)-3-methoxy-5-(4-methylphenyl)sulfonyl-1-prop-2-enylpiperidine-2,6-dione.

Molecular Properties

Compound Name(3R,5R)-3-methoxy-5-(4-methylphenyl)sulfonyl-1-prop-2-enylpiperidine-2,6-dione
PubChem CID101351558
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC Name(3R,5R)-3-methoxy-5-(4-methylphenyl)sulfonyl-1-prop-2-enylpiperidine-2,6-dione
SMILESC=CCN1C(=O)[C@H](S(=O)(=O)c2ccc(C)cc2)C[C@@H](OC)C1=O
InChIInChI=1S/C16H19NO5S/c1-4-9-17-15(18)13(22-3)10-14(16(17)19)23(20,21)12-7-5-11(2)6-8-12/h4-8,13-14H,1,9-10H2,2-3H3/t13-,14-/m1/s1
InChIKeyJSDWYFKFQVBQJX-ZIAGYGMSSA-N
XLogP1.10
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-[(4-methylphenyl)sulfonylmethyl]-1-prop-2-enylpyrrolidin-2-one
CID 11437826
1-benzyl-3-(4-chlorophenyl)-5-(4-methylphenyl)sulfonylpiperidine-2,6-dione
CID 11225131
3-(4-methylphenyl)sulfonyl-2-prop-2-enyl-3H-isoindol-1-one
CID 102139926
[(5R)-2-oxo-3-prop-2-enyl-1,3-oxazolidin-5-yl] 4-methylbenzenesulfonate
CID 2794013
(5S)-5-but-3-enyl-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 134600463
(2R)-2-but-3-enyl-1-(4-methylphenyl)sulfonylaziridine
CID 102594700
[(3S,5S)-5-but-3-enyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 102055849
1-[3-ethenyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]ethanone
CID 25149966
6-[(4-methylphenyl)methylsulfonylmethyl]-1-prop-2-enyl-3,4-dihydroquinolin-2-one
CID 158026793
2-prop-2-enoxypropyl 4-methylbenzenesulfonate
CID 130148646
2-prop-2-enyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 13184973
cis-(1S,2R)-2-(4-methylphenyl)sulfonylcyclopropane-1-carbaldehyde
CID 89149050

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-methoxy-5-(4-methylphenyl)sulfonyl-1-prop-2-enylpiperidine-2,6-dione?
The IUPAC name of (3R,5R)-3-methoxy-5-(4-methylphenyl)sulfonyl-1-prop-2-enylpiperidine-2,6-dione (CID 101351558) is (3R,5R)-3-methoxy-5-(4-methylphenyl)sulfonyl-1-prop-2-enylpiperidine-2,6-dione.
What is the SMILES notation for (3R,5R)-3-methoxy-5-(4-methylphenyl)sulfonyl-1-prop-2-enylpiperidine-2,6-dione?
The canonical SMILES for (3R,5R)-3-methoxy-5-(4-methylphenyl)sulfonyl-1-prop-2-enylpiperidine-2,6-dione is C=CCN1C(=O)[C@H](S(=O)(=O)c2ccc(C)cc2)C[C@@H](OC)C1=O.
What is the InChIKey of (3R,5R)-3-methoxy-5-(4-methylphenyl)sulfonyl-1-prop-2-enylpiperidine-2,6-dione?
The InChIKey is JSDWYFKFQVBQJX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-4-9-17-15(18)13(22-3)10-14(16(17)19)23(20,21)12-7-5-11(2)6-8-12/h4-8,13-14H,1,9-10H2,2-3H3/t13-,14-/m1/s1.
What are the key properties of (3R,5R)-3-methoxy-5-(4-methylphenyl)sulfonyl-1-prop-2-enylpiperidine-2,6-dione?
(3R,5R)-3-methoxy-5-(4-methylphenyl)sulfonyl-1-prop-2-enylpiperidine-2,6-dione has a molecular weight of 337.40 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-methoxy-5-(4-methylphenyl)sulfonyl-1-prop-2-enylpiperidine-2,6-dione is sourced from PubChem (CID 101351558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).