lithium (4-methylphenyl)sulfonyl-(4-trimethylsilylbut-3-ynyl)azanide

C14H20LiNO2SSi — CID 134872083

IUPAClithium (4-methylphenyl)sulfonyl-(4-trimethylsilylbut-3-ynyl)azanide
SMILESCc1ccc(S(=O)(=O)[N-]CCC#C[Si](C)(C)C)cc1.[Li+]
InChIInChI=1S/C14H20NO2SSi.Li/c1-13-7-9-14(10-8-13)18(16,17)15-11-5-6-12-19(2,3)4;/h7-10H,5,11H2,1-4H3;/q-1;+1
InChIKeyQOAOFBUUWASZTP-UHFFFAOYSA-N
MW301.41 g/mol
LogP0.33
Rot. Bonds4

About lithium (4-methylphenyl)sulfonyl-(4-trimethylsilylbut-3-ynyl)azanide

lithium (4-methylphenyl)sulfonyl-(4-trimethylsilylbut-3-ynyl)azanide (PubChem CID 134872083) has the molecular formula C14H20LiNO2SSi and a molecular weight of 301.41 g/mol. Its IUPAC name is lithium (4-methylphenyl)sulfonyl-(4-trimethylsilylbut-3-ynyl)azanide.

Molecular Properties

Compound Namelithium (4-methylphenyl)sulfonyl-(4-trimethylsilylbut-3-ynyl)azanide
PubChem CID134872083
Molecular FormulaC14H20LiNO2SSi
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Namelithium (4-methylphenyl)sulfonyl-(4-trimethylsilylbut-3-ynyl)azanide
SMILESCc1ccc(S(=O)(=O)[N-]CCC#C[Si](C)(C)C)cc1.[Li+]
InChIInChI=1S/C14H20NO2SSi.Li/c1-13-7-9-14(10-8-13)18(16,17)15-11-5-6-12-19(2,3)4;/h7-10H,5,11H2,1-4H3;/q-1;+1
InChIKeyQOAOFBUUWASZTP-UHFFFAOYSA-N
XLogP0.33
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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gold(3+);2-(4-methylbenzene-6-id-1-yl)pyridine;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylethyl]azanide
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CID 91127409
carbanide;(4-methylphenyl)sulfonyl-[2-(4-methylphenyl)sulfonylazanidylphenyl]azanide;palladium
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trimethyl-[(5E,9E,13E,17E)-6,10,14,18,22-pentamethyl-8-(4-methylphenyl)sulfonyltricosa-5,9,13,17,21-pentaen-1-ynyl]silane
CID 10995646
3-trimethylsilylprop-2-ynyl (S)-4-methylbenzenesulfinate
CID 166449564
8-[tert-butyl(dimethyl)silyl]oct-7-ynyl 4-methylbenzenesulfonate
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Frequently Asked Questions

What is the IUPAC name of lithium (4-methylphenyl)sulfonyl-(4-trimethylsilylbut-3-ynyl)azanide?
The IUPAC name of lithium (4-methylphenyl)sulfonyl-(4-trimethylsilylbut-3-ynyl)azanide (CID 134872083) is lithium (4-methylphenyl)sulfonyl-(4-trimethylsilylbut-3-ynyl)azanide.
What is the SMILES notation for lithium (4-methylphenyl)sulfonyl-(4-trimethylsilylbut-3-ynyl)azanide?
The canonical SMILES for lithium (4-methylphenyl)sulfonyl-(4-trimethylsilylbut-3-ynyl)azanide is Cc1ccc(S(=O)(=O)[N-]CCC#C[Si](C)(C)C)cc1.[Li+].
What is the InChIKey of lithium (4-methylphenyl)sulfonyl-(4-trimethylsilylbut-3-ynyl)azanide?
The InChIKey is QOAOFBUUWASZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20NO2SSi.Li/c1-13-7-9-14(10-8-13)18(16,17)15-11-5-6-12-19(2,3)4;/h7-10H,5,11H2,1-4H3;/q-1;+1.
What are the key properties of lithium (4-methylphenyl)sulfonyl-(4-trimethylsilylbut-3-ynyl)azanide?
lithium (4-methylphenyl)sulfonyl-(4-trimethylsilylbut-3-ynyl)azanide has a molecular weight of 301.41 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (4-methylphenyl)sulfonyl-(4-trimethylsilylbut-3-ynyl)azanide is sourced from PubChem (CID 134872083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).