(4S)-4-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)sulfonylpiperidin-2-one

C20H25NO3SSi — CID 135063034

IUPAC(4S)-4-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)sulfonylpiperidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CC[C@H]([Si](C)(C)c3ccccc3)CC2=O)cc1
InChIInChI=1S/C20H25NO3SSi/c1-16-9-11-17(12-10-16)25(23,24)21-14-13-19(15-20(21)22)26(2,3)18-7-5-4-6-8-18/h4-12,19H,13-15H2,1-3H3/t19-/m0/s1
InChIKeyKXXGDFHJJQLCQI-IBGZPJMESA-N
MW387.58 g/mol
LogP3.29
Rot. Bonds4

About (4S)-4-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)sulfonylpiperidin-2-one

(4S)-4-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)sulfonylpiperidin-2-one (PubChem CID 135063034) has the molecular formula C20H25NO3SSi and a molecular weight of 387.58 g/mol. Its IUPAC name is (4S)-4-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)sulfonylpiperidin-2-one.

Molecular Properties

Compound Name(4S)-4-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)sulfonylpiperidin-2-one
PubChem CID135063034
Molecular FormulaC20H25NO3SSi
Molecular Weight387.58 g/mol
Exact Mass387.13
IUPAC Name(4S)-4-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)sulfonylpiperidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CC[C@H]([Si](C)(C)c3ccccc3)CC2=O)cc1
InChIInChI=1S/C20H25NO3SSi/c1-16-9-11-17(12-10-16)25(23,24)21-14-13-19(15-20(21)22)26(2,3)18-7-5-4-6-8-18/h4-12,19H,13-15H2,1-3H3/t19-/m0/s1
InChIKeyKXXGDFHJJQLCQI-IBGZPJMESA-N
XLogP3.29
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.58
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-methylphenyl)sulfonyl-2-oxopyrrolidin-3-yl]-triphenylphosphanium
CID 22403580
(1aR)-4-(4-methylphenyl)sulfonyl-1a,2,3,8b-tetrahydrooxireno[2,3-d][1]benzazepine
CID 89273802
1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
CID 34885089
(4aR)-2-(4-methylphenyl)sulfonyl-4,4a,5,7-tetrahydro-3H-isoquinoline-1,6-dione
CID 102069126
(3aS,9bS)-5-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydrofuro[3,2-c]quinolin-2-one
CID 101430135
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
(4S,6R)-2,8-bis-(4-methylphenyl)sulfonyl-5-oxa-2,8-diazatricyclo[7.4.0.04,6]trideca-1(13),9,11-triene
CID 102589599
4-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydro-1,4-benzoxazine
CID 86212473
(4R,5S)-4-benzyl-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 15463005
5-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-4,5-dihydropyridazin-3-one
CID 13482072
1-(4-methylphenyl)sulfonyl-4-phenyl-2-propyl-4,5-dihydroimidazole
CID 101391819
tert-butyl 1-(4-methylphenyl)sulfonyl-2-oxopyrrolidine-3-carboxylate
CID 11580904

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)sulfonylpiperidin-2-one?
The IUPAC name of (4S)-4-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)sulfonylpiperidin-2-one (CID 135063034) is (4S)-4-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)sulfonylpiperidin-2-one.
What is the SMILES notation for (4S)-4-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)sulfonylpiperidin-2-one?
The canonical SMILES for (4S)-4-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)sulfonylpiperidin-2-one is Cc1ccc(S(=O)(=O)N2CC[C@H]([Si](C)(C)c3ccccc3)CC2=O)cc1.
What is the InChIKey of (4S)-4-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)sulfonylpiperidin-2-one?
The InChIKey is KXXGDFHJJQLCQI-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25NO3SSi/c1-16-9-11-17(12-10-16)25(23,24)21-14-13-19(15-20(21)22)26(2,3)18-7-5-4-6-8-18/h4-12,19H,13-15H2,1-3H3/t19-/m0/s1.
What are the key properties of (4S)-4-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)sulfonylpiperidin-2-one?
(4S)-4-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)sulfonylpiperidin-2-one has a molecular weight of 387.58 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[dimethyl(phenyl)silyl]-1-(4-methylphenyl)sulfonylpiperidin-2-one is sourced from PubChem (CID 135063034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).