3-(dimethyl-λ4-sulfanylidene)-1-[(1R)-1-phenylethyl]piperidine-2,4-dione

C15H19NO2S — CID 101467983

IUPAC3-(dimethyl-λ4-sulfanylidene)-1-[(1R)-1-phenylethyl]piperidine-2,4-dione
SMILESC[C@H](c1ccccc1)N1CCC(=O)C(=S(C)C)C1=O
InChIInChI=1S/C15H19NO2S/c1-11(12-7-5-4-6-8-12)16-10-9-13(17)14(15(16)18)19(2)3/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1
InChIKeyRWXANAOGORCXII-LLVKDONJSA-N
MW277.39 g/mol
LogP2.25
Rot. Bonds2

About 3-(dimethyl-λ4-sulfanylidene)-1-[(1R)-1-phenylethyl]piperidine-2,4-dione

3-(dimethyl-λ4-sulfanylidene)-1-[(1R)-1-phenylethyl]piperidine-2,4-dione (PubChem CID 101467983) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-(dimethyl-λ4-sulfanylidene)-1-[(1R)-1-phenylethyl]piperidine-2,4-dione.

Molecular Properties

Compound Name3-(dimethyl-λ4-sulfanylidene)-1-[(1R)-1-phenylethyl]piperidine-2,4-dione
PubChem CID101467983
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name3-(dimethyl-λ4-sulfanylidene)-1-[(1R)-1-phenylethyl]piperidine-2,4-dione
SMILESC[C@H](c1ccccc1)N1CCC(=O)C(=S(C)C)C1=O
InChIInChI=1S/C15H19NO2S/c1-11(12-7-5-4-6-8-12)16-10-9-13(17)14(15(16)18)19(2)3/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1
InChIKeyRWXANAOGORCXII-LLVKDONJSA-N
XLogP2.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4,5-dichloro-1-(1-phenylethyl)-2,3-dihydropyridin-6-one
CID 142826183
5-methyl-1-(1-phenylethyl)-2,3-dihydropyrrole-4-carboxylic acid
CID 118980957
3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one
CID 20820546
1-(1-thiophen-3-ylethyl)pyrrolidine-2,3-dione
CID 62841900
3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 142649009
1-[(1S)-1-phenylethyl]-3,6-dihydro-2H-azepin-7-one
CID 135044353
4-fluoro-3-methyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one
CID 142135206
4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 53382448
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
6-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92974392
1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole
CID 91030651
(3R)-3-methyl-1-[(1R)-1-phenylethyl]azepan-2-one
CID 14813890

Frequently Asked Questions

What is the IUPAC name of 3-(dimethyl-λ4-sulfanylidene)-1-[(1R)-1-phenylethyl]piperidine-2,4-dione?
The IUPAC name of 3-(dimethyl-λ4-sulfanylidene)-1-[(1R)-1-phenylethyl]piperidine-2,4-dione (CID 101467983) is 3-(dimethyl-λ4-sulfanylidene)-1-[(1R)-1-phenylethyl]piperidine-2,4-dione.
What is the SMILES notation for 3-(dimethyl-λ4-sulfanylidene)-1-[(1R)-1-phenylethyl]piperidine-2,4-dione?
The canonical SMILES for 3-(dimethyl-λ4-sulfanylidene)-1-[(1R)-1-phenylethyl]piperidine-2,4-dione is C[C@H](c1ccccc1)N1CCC(=O)C(=S(C)C)C1=O.
What is the InChIKey of 3-(dimethyl-λ4-sulfanylidene)-1-[(1R)-1-phenylethyl]piperidine-2,4-dione?
The InChIKey is RWXANAOGORCXII-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-11(12-7-5-4-6-8-12)16-10-9-13(17)14(15(16)18)19(2)3/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1.
What are the key properties of 3-(dimethyl-λ4-sulfanylidene)-1-[(1R)-1-phenylethyl]piperidine-2,4-dione?
3-(dimethyl-λ4-sulfanylidene)-1-[(1R)-1-phenylethyl]piperidine-2,4-dione has a molecular weight of 277.39 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethyl-λ4-sulfanylidene)-1-[(1R)-1-phenylethyl]piperidine-2,4-dione is sourced from PubChem (CID 101467983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).