(R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide

C16H25NOSSi — CID 46177997

IUPAC(R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](C#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C16H25NOSSi/c1-16(2,3)19(18)17-15(12-13-20(4,5)6)14-10-8-7-9-11-14/h7-11,15,17H,1-6H3/t15-,19+/m0/s1
InChIKeySTGUIRXGBPHXBJ-HNAYVOBHSA-N
MW307.53 g/mol
LogP3.66
Rot. Bonds3

About (R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide

(R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide (PubChem CID 46177997) has the molecular formula C16H25NOSSi and a molecular weight of 307.53 g/mol. Its IUPAC name is (R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide
PubChem CID46177997
Molecular FormulaC16H25NOSSi
Molecular Weight307.53 g/mol
Exact Mass307.14
IUPAC Name(R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@@H](C#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C16H25NOSSi/c1-16(2,3)19(18)17-15(12-13-20(4,5)6)14-10-8-7-9-11-14/h7-11,15,17H,1-6H3/t15-,19+/m0/s1
InChIKeySTGUIRXGBPHXBJ-HNAYVOBHSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 53.66
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

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
(R)-2-methyl-N-[(1S)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 135086048
2-methyl-N-[(1R)-1-phenylprop-2-ynyl]propane-2-sulfinamide
CID 122211944
(R)-2-methyl-N-[(1S)-1-phenyl-4-trimethylsilylbut-3-ynyl]propane-2-sulfinamide
CID 134943259
2-methyl-N-(1-phenyl-4-trimethylsilylbut-3-ynyl)propane-2-sulfinamide
CID 102173687
(R)-2-methyl-N-[(1R)-2-methyl-1-phenylpropyl]propane-2-sulfinamide
CID 15455980
N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 89462500
N-benzyl-1-phenyl-3-trimethylsilylprop-2-yn-1-amine
CID 101180194
N-[(2S,3S,4R)-4-(methoxymethoxy)-2-phenylmethoxy-6-trimethylsilylhex-5-yn-3-yl]-2-methylpropane-2-sulfinamide
CID 102281928
2-methyl-N-[(S)-(3-methylfuran-2-yl)-phenylmethyl]propane-2-sulfinamide
CID 102392141
1-phenyl-N-(2-phenylethyl)-3-trimethylsilylprop-2-yn-1-amine
CID 135004228

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide (CID 46177997) is (R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@@H](C#C[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide?
The InChIKey is STGUIRXGBPHXBJ-HNAYVOBHSA-N. The full InChI is InChI=1S/C16H25NOSSi/c1-16(2,3)19(18)17-15(12-13-20(4,5)6)14-10-8-7-9-11-14/h7-11,15,17H,1-6H3/t15-,19+/m0/s1.
What are the key properties of (R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide?
(R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide has a molecular weight of 307.53 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]propane-2-sulfinamide is sourced from PubChem (CID 46177997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).