2-methyl-N-(1-phenyl-4-trimethylsilylbut-3-ynyl)propane-2-sulfinamide

C17H27NOSSi — CID 102173687

IUPAC2-methyl-N-(1-phenyl-4-trimethylsilylbut-3-ynyl)propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CC#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C17H27NOSSi/c1-17(2,3)20(19)18-16(13-10-14-21(4,5)6)15-11-8-7-9-12-15/h7-9,11-12,16,18H,13H2,1-6H3
InChIKeyGBRPMSKJPIVKGN-UHFFFAOYSA-N
MW321.56 g/mol
LogP4.05
Rot. Bonds4

About 2-methyl-N-(1-phenyl-4-trimethylsilylbut-3-ynyl)propane-2-sulfinamide

2-methyl-N-(1-phenyl-4-trimethylsilylbut-3-ynyl)propane-2-sulfinamide (PubChem CID 102173687) has the molecular formula C17H27NOSSi and a molecular weight of 321.56 g/mol. Its IUPAC name is 2-methyl-N-(1-phenyl-4-trimethylsilylbut-3-ynyl)propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-(1-phenyl-4-trimethylsilylbut-3-ynyl)propane-2-sulfinamide
PubChem CID102173687
Molecular FormulaC17H27NOSSi
Molecular Weight321.56 g/mol
Exact Mass321.16
IUPAC Name2-methyl-N-(1-phenyl-4-trimethylsilylbut-3-ynyl)propane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CC#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C17H27NOSSi/c1-17(2,3)20(19)18-16(13-10-14-21(4,5)6)15-11-8-7-9-12-15/h7-9,11-12,16,18H,13H2,1-6H3
InChIKeyGBRPMSKJPIVKGN-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.56
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(R)-2-methyl-N-[(1S)-1-phenyl-4-trimethylsilylbut-3-ynyl]propane-2-sulfinamide
CID 134943259
(R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide
CID 46177997
N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-4-trimethylsilylbut-3-ynyl]-2-methylpropane-2-sulfinamide
CID 168948268
N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]-2-methylpropane-2-sulfinamide
CID 53487467
(S)-2-methyl-N-[(1R)-3-oxo-1-phenylbutyl]propane-2-sulfinamide
CID 11288614
(R)-N-[(1S,3R)-3-hydroxy-1-phenylpentyl]-2-methylpropane-2-sulfinamide
CID 11196850
(R)-2-methyl-N-[(1R)-1-phenylhexyl]propane-2-sulfinamide
CID 135005703
N-[(1R)-3-chloro-1-phenylprop-2-ynyl]-2-methylpropane-2-sulfinamide
CID 122211942
N-[(1S)-3-chloro-1-phenylprop-2-ynyl]-2-methylpropane-2-sulfinamide
CID 122211943
N-[(1R,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
CID 53487456
N-[(1S,3R)-3-hydroxy-5-methyl-1-phenylhexyl]-2-methylpropane-2-sulfinamide
CID 53487457
(R)-2-methyl-N-[(1S)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 135086048

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-phenyl-4-trimethylsilylbut-3-ynyl)propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-(1-phenyl-4-trimethylsilylbut-3-ynyl)propane-2-sulfinamide (CID 102173687) is 2-methyl-N-(1-phenyl-4-trimethylsilylbut-3-ynyl)propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-(1-phenyl-4-trimethylsilylbut-3-ynyl)propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-(1-phenyl-4-trimethylsilylbut-3-ynyl)propane-2-sulfinamide is CC(C)(C)S(=O)NC(CC#C[Si](C)(C)C)c1ccccc1.
What is the InChIKey of 2-methyl-N-(1-phenyl-4-trimethylsilylbut-3-ynyl)propane-2-sulfinamide?
The InChIKey is GBRPMSKJPIVKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOSSi/c1-17(2,3)20(19)18-16(13-10-14-21(4,5)6)15-11-8-7-9-12-15/h7-9,11-12,16,18H,13H2,1-6H3.
What are the key properties of 2-methyl-N-(1-phenyl-4-trimethylsilylbut-3-ynyl)propane-2-sulfinamide?
2-methyl-N-(1-phenyl-4-trimethylsilylbut-3-ynyl)propane-2-sulfinamide has a molecular weight of 321.56 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-phenyl-4-trimethylsilylbut-3-ynyl)propane-2-sulfinamide is sourced from PubChem (CID 102173687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).