[(1S)-1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane

C18H30O4SSi — CID 11057737

IUPAC[(1S)-1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane
SMILESCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H30O4SSi/c1-7-11-15(22-24(5,6)18(2,3)4)16-17(21-16)23(19,20)14-12-9-8-10-13-14/h8-10,12-13,15-17H,7,11H2,1-6H3/t15-,16-,17-/m0/s1
InChIKeyXULRSYKSRUURBN-ULQDDVLXSA-N
MW370.59 g/mol
LogP4.38
Rot. Bonds7

About [(1S)-1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane

[(1S)-1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane (PubChem CID 11057737) has the molecular formula C18H30O4SSi and a molecular weight of 370.59 g/mol. Its IUPAC name is [(1S)-1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S)-1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane
PubChem CID11057737
Molecular FormulaC18H30O4SSi
Molecular Weight370.59 g/mol
Exact Mass370.16
IUPAC Name[(1S)-1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane
SMILESCCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H30O4SSi/c1-7-11-15(22-24(5,6)18(2,3)4)16-17(21-16)23(19,20)14-12-9-8-10-13-14/h8-10,12-13,15-17H,7,11H2,1-6H3/t15-,16-,17-/m0/s1
InChIKeyXULRSYKSRUURBN-ULQDDVLXSA-N
XLogP4.38
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.59
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1S)-1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-6-(benzenesulfonyl)hex-5-enoxy]-tert-butyl-dimethylsilane
CID 11164088
[(1R,2R)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]oxy-tert-butyl-dimethylsilane
CID 11602512
[(E)-5-(benzenesulfonyl)pent-4-enoxy]-tert-butyl-dimethylsilane
CID 162405619
Tert-butyl(dimethyl)[[(2R)-2-methyl-3-(phenylsulfonyl)propyl]oxy]silane
CID 11142051
(3S)-4-{[Tert-butyl(dimethyl)silyl]oxy}-3-methylbutyl phenyl sulfone
CID 11782846
[(1S,4R)-2-(benzenesulfonyl)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 340333
5-[(E)-2-(benzenesulfonyl)ethenoxy]hexoxy-tert-butyl-dimethylsilane
CID 10548912
4-[(E)-2-(benzenesulfonyl)ethenoxy]pentoxy-tert-butyl-dimethylsilane
CID 10762622
[(2R,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10914452
[(2S,3R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 10994066
[(2S,3S,6S)-1-(benzenesulfonyl)-2,6-dimethyloct-7-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 11004146
[(2S)-4-(benzenesulfonyl)butan-2-yl]oxy-tert-butyl-dimethylsilane
CID 11012900

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(1S)-1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane (CID 11057737) is [(1S)-1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S)-1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S)-1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane is CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of [(1S)-1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane?
The InChIKey is XULRSYKSRUURBN-ULQDDVLXSA-N. The full InChI is InChI=1S/C18H30O4SSi/c1-7-11-15(22-24(5,6)18(2,3)4)16-17(21-16)23(19,20)14-12-9-8-10-13-14/h8-10,12-13,15-17H,7,11H2,1-6H3/t15-,16-,17-/m0/s1.
What are the key properties of [(1S)-1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane?
[(1S)-1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane has a molecular weight of 370.59 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(2S,3S)-3-(benzenesulfonyl)oxiran-2-yl]butoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11057737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).