(6R)-5,5-bis(benzenesulfonyl)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one

C26H37NO6S2Si — CID 45113491

IUPAC(6R)-5,5-bis(benzenesulfonyl)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CCC1(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H37NO6S2Si/c1-7-22(33-36(5,6)25(2,3)4)24-26(19-18-23(28)27-24,34(29,30)20-14-10-8-11-15-20)35(31,32)21-16-12-9-13-17-21/h8-17,22,24H,7,18-19H2,1-6H3,(H,27,28)/t22-,24+/m0/s1
InChIKeyOHUHCXHKHGUXEO-LADGPHEKSA-N
MW551.80 g/mol
LogP4.71
Rot. Bonds8

About (6R)-5,5-bis(benzenesulfonyl)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one

(6R)-5,5-bis(benzenesulfonyl)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one (PubChem CID 45113491) has the molecular formula C26H37NO6S2Si and a molecular weight of 551.80 g/mol. Its IUPAC name is (6R)-5,5-bis(benzenesulfonyl)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one.

Molecular Properties

Compound Name(6R)-5,5-bis(benzenesulfonyl)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one
PubChem CID45113491
Molecular FormulaC26H37NO6S2Si
Molecular Weight551.80 g/mol
Exact Mass551.18
IUPAC Name(6R)-5,5-bis(benzenesulfonyl)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one
SMILESCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CCC1(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H37NO6S2Si/c1-7-22(33-36(5,6)25(2,3)4)24-26(19-18-23(28)27-24,34(29,30)20-14-10-8-11-15-20)35(31,32)21-16-12-9-13-17-21/h8-17,22,24H,7,18-19H2,1-6H3,(H,27,28)/t22-,24+/m0/s1
InChIKeyOHUHCXHKHGUXEO-LADGPHEKSA-N
XLogP4.71
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.80
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-4-(benzenesulfonyl)-2-[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyloxolan-2-yl]butan-2-yl]oxy-trimethylsilane
CID 11307070
(5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 100999051
[9-(benzenesulfonyl)-3-tricyclo[6.3.0.01,5]undec-8-enyl]oxy-tert-butyl-dimethylsilane
CID 139252741
tert-butyl-dimethyl-[(1S)-1-[(1R,2S)-1-methyl-2-phenylcyclopropyl]propoxy]silane
CID 101214228
[(1S,3R,5R)-9-(benzenesulfonyl)-3-tricyclo[6.3.0.01,5]undec-8-enyl]oxy-tert-butyl-dimethylsilane
CID 139252771
[(E)-4-(benzenesulfonyl)-1-phenylbut-3-enoxy]-tert-butyl-dimethylsilane
CID 15534325
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethoxy]silane
CID 87356118
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-5-oxopyrrolidin-2-yl]acetaldehyde
CID 10563121
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]propoxy]silane
CID 87355723
tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane
CID 87130449
[(2R,3R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] 2-phenylbutanoate
CID 15678041
(3S,4R)-3-(benzenesulfonyl)-1-butyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-one
CID 101160395

Frequently Asked Questions

What is the IUPAC name of (6R)-5,5-bis(benzenesulfonyl)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one?
The IUPAC name of (6R)-5,5-bis(benzenesulfonyl)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one (CID 45113491) is (6R)-5,5-bis(benzenesulfonyl)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one.
What is the SMILES notation for (6R)-5,5-bis(benzenesulfonyl)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one?
The canonical SMILES for (6R)-5,5-bis(benzenesulfonyl)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one is CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CCC1(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (6R)-5,5-bis(benzenesulfonyl)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one?
The InChIKey is OHUHCXHKHGUXEO-LADGPHEKSA-N. The full InChI is InChI=1S/C26H37NO6S2Si/c1-7-22(33-36(5,6)25(2,3)4)24-26(19-18-23(28)27-24,34(29,30)20-14-10-8-11-15-20)35(31,32)21-16-12-9-13-17-21/h8-17,22,24H,7,18-19H2,1-6H3,(H,27,28)/t22-,24+/m0/s1.
What are the key properties of (6R)-5,5-bis(benzenesulfonyl)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one?
(6R)-5,5-bis(benzenesulfonyl)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one has a molecular weight of 551.80 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5,5-bis(benzenesulfonyl)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one is sourced from PubChem (CID 45113491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).