[3-(benzenesulfonyl)-2-phenyl-1,3-oxazolidin-4-yl]methyl-tri(propan-2-yl)silane

C25H37NO3SSi — CID 73228744

IUPAC[3-(benzenesulfonyl)-2-phenyl-1,3-oxazolidin-4-yl]methyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](CC1COC(c2ccccc2)N1S(=O)(=O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C25H37NO3SSi/c1-19(2)31(20(3)4,21(5)6)18-23-17-29-25(22-13-9-7-10-14-22)26(23)30(27,28)24-15-11-8-12-16-24/h7-16,19-21,23,25H,17-18H2,1-6H3
InChIKeyRBBYWHJAMQEARV-UHFFFAOYSA-N
MW459.73 g/mol
LogP6.45
Rot. Bonds8

About [3-(benzenesulfonyl)-2-phenyl-1,3-oxazolidin-4-yl]methyl-tri(propan-2-yl)silane

[3-(benzenesulfonyl)-2-phenyl-1,3-oxazolidin-4-yl]methyl-tri(propan-2-yl)silane (PubChem CID 73228744) has the molecular formula C25H37NO3SSi and a molecular weight of 459.73 g/mol. Its IUPAC name is [3-(benzenesulfonyl)-2-phenyl-1,3-oxazolidin-4-yl]methyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-(benzenesulfonyl)-2-phenyl-1,3-oxazolidin-4-yl]methyl-tri(propan-2-yl)silane
PubChem CID73228744
Molecular FormulaC25H37NO3SSi
Molecular Weight459.73 g/mol
Exact Mass459.23
IUPAC Name[3-(benzenesulfonyl)-2-phenyl-1,3-oxazolidin-4-yl]methyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](CC1COC(c2ccccc2)N1S(=O)(=O)c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C25H37NO3SSi/c1-19(2)31(20(3)4,21(5)6)18-23-17-29-25(22-13-9-7-10-14-22)26(23)30(27,28)24-15-11-8-12-16-24/h7-16,19-21,23,25H,17-18H2,1-6H3
InChIKeyRBBYWHJAMQEARV-UHFFFAOYSA-N
XLogP6.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.73
LogP ≤ 56.45
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

(2S,4S)-3-(benzenesulfonyl)-4-butyl-2-phenyl-1,3-oxazolidine
CID 102045763
(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 102473250
[1,4-bis(benzenesulfonyl)-7-chloro-2,3-dihydroquinoxalin-2-yl]methyl-tri(propan-2-yl)silane
CID 101388216
(3R)-2-(benzenesulfonyl)-3-phenyloxaziridine
CID 10923301
4-ethyl-3-nitroso-2-phenyl-1,3-oxazolidine
CID 45094832
(2R)-2-[(2R)-4-(benzenesulfonyl)-2-methylbutyl]oxirane
CID 11086314
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
CID 110369381
(2R,3R)-1-(benzenesulfonyl)-2,3-diethylaziridine
CID 165347301
(2R)-1-(benzenesulfonyl)-2-ethylaziridine
CID 22957230
(2S,3R,5R)-2-phenyl-5-[tri(propan-2-yl)silylmethyl]oxolan-3-ol
CID 101170907
(2R,5R)-1-(benzenesulfonyl)-2-methyl-5-phenylpyrrolidine
CID 59100228
(3S,5R)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-propan-2-ylmorpholine
CID 134953438

Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonyl)-2-phenyl-1,3-oxazolidin-4-yl]methyl-tri(propan-2-yl)silane?
The IUPAC name of [3-(benzenesulfonyl)-2-phenyl-1,3-oxazolidin-4-yl]methyl-tri(propan-2-yl)silane (CID 73228744) is [3-(benzenesulfonyl)-2-phenyl-1,3-oxazolidin-4-yl]methyl-tri(propan-2-yl)silane.
What is the SMILES notation for [3-(benzenesulfonyl)-2-phenyl-1,3-oxazolidin-4-yl]methyl-tri(propan-2-yl)silane?
The canonical SMILES for [3-(benzenesulfonyl)-2-phenyl-1,3-oxazolidin-4-yl]methyl-tri(propan-2-yl)silane is CC(C)[Si](CC1COC(c2ccccc2)N1S(=O)(=O)c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of [3-(benzenesulfonyl)-2-phenyl-1,3-oxazolidin-4-yl]methyl-tri(propan-2-yl)silane?
The InChIKey is RBBYWHJAMQEARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO3SSi/c1-19(2)31(20(3)4,21(5)6)18-23-17-29-25(22-13-9-7-10-14-22)26(23)30(27,28)24-15-11-8-12-16-24/h7-16,19-21,23,25H,17-18H2,1-6H3.
What are the key properties of [3-(benzenesulfonyl)-2-phenyl-1,3-oxazolidin-4-yl]methyl-tri(propan-2-yl)silane?
[3-(benzenesulfonyl)-2-phenyl-1,3-oxazolidin-4-yl]methyl-tri(propan-2-yl)silane has a molecular weight of 459.73 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonyl)-2-phenyl-1,3-oxazolidin-4-yl]methyl-tri(propan-2-yl)silane is sourced from PubChem (CID 73228744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).