trimethyl-[[(2R)-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-yl]methyl]silane

C22H31NO2SSi — CID 101395837

IUPACtrimethyl-[[(2R)-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-yl]methyl]silane
SMILESCc1ccc(S(=O)(=O)N2CCC(c3ccccc3)C[C@@H]2C[Si](C)(C)C)cc1
InChIInChI=1S/C22H31NO2SSi/c1-18-10-12-22(13-11-18)26(24,25)23-15-14-20(19-8-6-5-7-9-19)16-21(23)17-27(2,3)4/h5-13,20-21H,14-17H2,1-4H3/t20?,21-/m1/s1
InChIKeyRPOZNGVQRHTHGD-BPGUCPLFSA-N
MW401.65 g/mol
LogP5.27
Rot. Bonds5

About trimethyl-[[(2R)-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-yl]methyl]silane

trimethyl-[[(2R)-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-yl]methyl]silane (PubChem CID 101395837) has the molecular formula C22H31NO2SSi and a molecular weight of 401.65 g/mol. Its IUPAC name is trimethyl-[[(2R)-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-yl]methyl]silane.

Molecular Properties

Compound Nametrimethyl-[[(2R)-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-yl]methyl]silane
PubChem CID101395837
Molecular FormulaC22H31NO2SSi
Molecular Weight401.65 g/mol
Exact Mass401.18
IUPAC Nametrimethyl-[[(2R)-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-yl]methyl]silane
SMILESCc1ccc(S(=O)(=O)N2CCC(c3ccccc3)C[C@@H]2C[Si](C)(C)C)cc1
InChIInChI=1S/C22H31NO2SSi/c1-18-10-12-22(13-11-18)26(24,25)23-15-14-20(19-8-6-5-7-9-19)16-21(23)17-27(2,3)4/h5-13,20-21H,14-17H2,1-4H3/t20?,21-/m1/s1
InChIKeyRPOZNGVQRHTHGD-BPGUCPLFSA-N
XLogP5.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.65
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-bis(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 164682679
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
4-chloro-1-(4-methylphenyl)sulfonyl-2-phenylpiperidine
CID 75025080
2,4-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 164682677
(2S,3S)-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidin-2-ol
CID 11067091
(2S,6R)-3-(4-methylphenyl)sulfonyl-6-phenyl-2-propyl-1,3-oxazinane
CID 102081459
3-(4-methylphenyl)sulfonyl-2-phenyl-1,3-oxazinane
CID 46707965
(2R,4R)-2-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 134859032
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 162399175
1-(4-methylphenyl)sulfonyl-2-[2-[2-[1-(4-methylphenyl)sulfonylazetidin-2-yl]ethoxy]ethyl]azetidine
CID 165355383
(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
CID 134848114

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(2R)-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-yl]methyl]silane?
The IUPAC name of trimethyl-[[(2R)-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-yl]methyl]silane (CID 101395837) is trimethyl-[[(2R)-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-yl]methyl]silane.
What is the SMILES notation for trimethyl-[[(2R)-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-yl]methyl]silane?
The canonical SMILES for trimethyl-[[(2R)-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-yl]methyl]silane is Cc1ccc(S(=O)(=O)N2CCC(c3ccccc3)C[C@@H]2C[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[[(2R)-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-yl]methyl]silane?
The InChIKey is RPOZNGVQRHTHGD-BPGUCPLFSA-N. The full InChI is InChI=1S/C22H31NO2SSi/c1-18-10-12-22(13-11-18)26(24,25)23-15-14-20(19-8-6-5-7-9-19)16-21(23)17-27(2,3)4/h5-13,20-21H,14-17H2,1-4H3/t20?,21-/m1/s1.
What are the key properties of trimethyl-[[(2R)-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-yl]methyl]silane?
trimethyl-[[(2R)-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-yl]methyl]silane has a molecular weight of 401.65 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(2R)-1-(4-methylphenyl)sulfonyl-4-phenylpiperidin-2-yl]methyl]silane is sourced from PubChem (CID 101395837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).