[(1S,2S)-1-(benzenesulfonyl)-2-[(R)-cyclohexyl(methoxy)methyl]cyclopropyl]-trimethylsilane

C20H32O3SSi — CID 10385148

IUPAC[(1S,2S)-1-(benzenesulfonyl)-2-[(R)-cyclohexyl(methoxy)methyl]cyclopropyl]-trimethylsilane
SMILESCO[C@H](C1CCCCC1)[C@@H]1C[C@]1([Si](C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H32O3SSi/c1-23-19(16-11-7-5-8-12-16)18-15-20(18,25(2,3)4)24(21,22)17-13-9-6-10-14-17/h6,9-10,13-14,16,18-19H,5,7-8,11-12,15H2,1-4H3/t18-,19+,20+/m0/s1
InChIKeyNXTWOXHBNUAIHA-XUVXKRRUSA-N
MW380.63 g/mol
LogP4.69
Rot. Bonds6

About [(1S,2S)-1-(benzenesulfonyl)-2-[(R)-cyclohexyl(methoxy)methyl]cyclopropyl]-trimethylsilane

[(1S,2S)-1-(benzenesulfonyl)-2-[(R)-cyclohexyl(methoxy)methyl]cyclopropyl]-trimethylsilane (PubChem CID 10385148) has the molecular formula C20H32O3SSi and a molecular weight of 380.63 g/mol. Its IUPAC name is [(1S,2S)-1-(benzenesulfonyl)-2-[(R)-cyclohexyl(methoxy)methyl]cyclopropyl]-trimethylsilane.

Molecular Properties

Compound Name[(1S,2S)-1-(benzenesulfonyl)-2-[(R)-cyclohexyl(methoxy)methyl]cyclopropyl]-trimethylsilane
PubChem CID10385148
Molecular FormulaC20H32O3SSi
Molecular Weight380.63 g/mol
Exact Mass380.18
IUPAC Name[(1S,2S)-1-(benzenesulfonyl)-2-[(R)-cyclohexyl(methoxy)methyl]cyclopropyl]-trimethylsilane
SMILESCO[C@H](C1CCCCC1)[C@@H]1C[C@]1([Si](C)(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H32O3SSi/c1-23-19(16-11-7-5-8-12-16)18-15-20(18,25(2,3)4)24(21,22)17-13-9-6-10-14-17/h6,9-10,13-14,16,18-19H,5,7-8,11-12,15H2,1-4H3/t18-,19+,20+/m0/s1
InChIKeyNXTWOXHBNUAIHA-XUVXKRRUSA-N
XLogP4.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.63
LogP ≤ 54.69
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

(1S,2R)-3-(benzenesulfonyl)-1-cyclohexyl-2-methylbut-3-en-1-ol
CID 134931126
3-[[1-(Benzenesulfonyl)cyclopropyl]-dimethylsilyl]-3-phenylpropan-1-ol
CID 10894089
[(2S,3S,6S)-1-(benzenesulfonyl)-2,6-dimethyloct-7-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 11004146
[(2S,3R,4S)-1-(benzenesulfonyl)-2,4-dimethyl-6-(oxiran-2-yl)hexan-3-yl]oxy-tert-butyl-dimethylsilane
CID 11133706
[(1R,2R,4R)-4-(benzenesulfonylmethyl)-2-methoxycyclohexyl]oxy-tert-butyl-dimethylsilane
CID 14240060
(2R,3S)-6-(benzenesulfonyl)-2-[(2S)-butan-2-yl]-3-methyloxane
CID 14608964
[1-(Benzenesulfonyl)-2-hexylcyclopropyl]methyl-trimethylsilane
CID 85537096
[(1S,2S,6R,7S)-3-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylcyclohept-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 102254196
[(1S,2R,6R,7R)-3-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylcyclohept-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 139039373
[(1R,2R,6S,7S)-3-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylcyclohept-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 139039374
[(1S,2S,3R,6R)-5-(benzenesulfonyl)-3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylcyclohept-4-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 139115545
[(2R,3R)-3-(benzenesulfonyl)-3-hexyloxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10070297

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-(benzenesulfonyl)-2-[(R)-cyclohexyl(methoxy)methyl]cyclopropyl]-trimethylsilane?
The IUPAC name of [(1S,2S)-1-(benzenesulfonyl)-2-[(R)-cyclohexyl(methoxy)methyl]cyclopropyl]-trimethylsilane (CID 10385148) is [(1S,2S)-1-(benzenesulfonyl)-2-[(R)-cyclohexyl(methoxy)methyl]cyclopropyl]-trimethylsilane.
What is the SMILES notation for [(1S,2S)-1-(benzenesulfonyl)-2-[(R)-cyclohexyl(methoxy)methyl]cyclopropyl]-trimethylsilane?
The canonical SMILES for [(1S,2S)-1-(benzenesulfonyl)-2-[(R)-cyclohexyl(methoxy)methyl]cyclopropyl]-trimethylsilane is CO[C@H](C1CCCCC1)[C@@H]1C[C@]1([Si](C)(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(1S,2S)-1-(benzenesulfonyl)-2-[(R)-cyclohexyl(methoxy)methyl]cyclopropyl]-trimethylsilane?
The InChIKey is NXTWOXHBNUAIHA-XUVXKRRUSA-N. The full InChI is InChI=1S/C20H32O3SSi/c1-23-19(16-11-7-5-8-12-16)18-15-20(18,25(2,3)4)24(21,22)17-13-9-6-10-14-17/h6,9-10,13-14,16,18-19H,5,7-8,11-12,15H2,1-4H3/t18-,19+,20+/m0/s1.
What are the key properties of [(1S,2S)-1-(benzenesulfonyl)-2-[(R)-cyclohexyl(methoxy)methyl]cyclopropyl]-trimethylsilane?
[(1S,2S)-1-(benzenesulfonyl)-2-[(R)-cyclohexyl(methoxy)methyl]cyclopropyl]-trimethylsilane has a molecular weight of 380.63 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-(benzenesulfonyl)-2-[(R)-cyclohexyl(methoxy)methyl]cyclopropyl]-trimethylsilane is sourced from PubChem (CID 10385148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).