N-[[di(propan-2-yl)amino]-[(2S,3S)-3-pyridin-3-yl-2-trimethylsilyloxiran-2-yl]phosphinothioyl]-N-propan-2-ylpropan-2-amine

C22H42N3OPSSi — CID 44585290

IUPACN-[[di(propan-2-yl)amino]-[(2S,3S)-3-pyridin-3-yl-2-trimethylsilyloxiran-2-yl]phosphinothioyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@]1([Si](C)(C)C)O[C@H]1c1cccnc1
InChIInChI=1S/C22H42N3OPSSi/c1-16(2)24(17(3)4)27(28,25(18(5)6)19(7)8)22(29(9,10)11)21(26-22)20-13-12-14-23-15-20/h12-19,21H,1-11H3/t21-,22+/m0/s1
InChIKeyYDIVGJMBROWTKB-FCHUYYIVSA-N
MW455.73 g/mol
LogP6.27
Rot. Bonds9

About N-[[di(propan-2-yl)amino]-[(2S,3S)-3-pyridin-3-yl-2-trimethylsilyloxiran-2-yl]phosphinothioyl]-N-propan-2-ylpropan-2-amine

N-[[di(propan-2-yl)amino]-[(2S,3S)-3-pyridin-3-yl-2-trimethylsilyloxiran-2-yl]phosphinothioyl]-N-propan-2-ylpropan-2-amine (PubChem CID 44585290) has the molecular formula C22H42N3OPSSi and a molecular weight of 455.73 g/mol. Its IUPAC name is N-[[di(propan-2-yl)amino]-[(2S,3S)-3-pyridin-3-yl-2-trimethylsilyloxiran-2-yl]phosphinothioyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[di(propan-2-yl)amino]-[(2S,3S)-3-pyridin-3-yl-2-trimethylsilyloxiran-2-yl]phosphinothioyl]-N-propan-2-ylpropan-2-amine
PubChem CID44585290
Molecular FormulaC22H42N3OPSSi
Molecular Weight455.73 g/mol
Exact Mass455.26
IUPAC NameN-[[di(propan-2-yl)amino]-[(2S,3S)-3-pyridin-3-yl-2-trimethylsilyloxiran-2-yl]phosphinothioyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@]1([Si](C)(C)C)O[C@H]1c1cccnc1
InChIInChI=1S/C22H42N3OPSSi/c1-16(2)24(17(3)4)27(28,25(18(5)6)19(7)8)22(29(9,10)11)21(26-22)20-13-12-14-23-15-20/h12-19,21H,1-11H3/t21-,22+/m0/s1
InChIKeyYDIVGJMBROWTKB-FCHUYYIVSA-N
XLogP6.27
TPSA31.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.73
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[di(propan-2-yl)amino]-[(2S,3S)-3-pyridin-3-yl-2-trimethylsilyloxiran-2-yl]phosphinothioyl]-N-propan-2-ylpropan-2-amine with MolForge

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Related Compounds

3-(1-oxaspiro[2.5]octan-2-yl)pyridine
CID 10726324
3-[3,3-bis(diethoxyphosphoryl)oxiran-2-yl]pyridine
CID 102444304
[(2S,3S)-2-phenyl-3-pyridin-3-yloxiran-2-yl]methanol
CID 54339470
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
3-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridine
CID 167340168
3-(1-propan-2-ylazetidin-3-yl)pyridine
CID 58547303
3-[(2R,3S)-3-ethenyloxiran-2-yl]pyridine
CID 93493915
3-(6-methylcyclohexa-2,4-dien-1-yl)pyridine
CID 166648131
3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
3-[(2S,3S)-3-methyl-2,3-dihydrofuran-2-yl]pyridine
CID 11105660
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
N-[(2-pyridin-3-ylcyclobutyl)methyl]propan-2-amine
CID 81018367

Frequently Asked Questions

What is the IUPAC name of N-[[di(propan-2-yl)amino]-[(2S,3S)-3-pyridin-3-yl-2-trimethylsilyloxiran-2-yl]phosphinothioyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[[di(propan-2-yl)amino]-[(2S,3S)-3-pyridin-3-yl-2-trimethylsilyloxiran-2-yl]phosphinothioyl]-N-propan-2-ylpropan-2-amine (CID 44585290) is N-[[di(propan-2-yl)amino]-[(2S,3S)-3-pyridin-3-yl-2-trimethylsilyloxiran-2-yl]phosphinothioyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[[di(propan-2-yl)amino]-[(2S,3S)-3-pyridin-3-yl-2-trimethylsilyloxiran-2-yl]phosphinothioyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[[di(propan-2-yl)amino]-[(2S,3S)-3-pyridin-3-yl-2-trimethylsilyloxiran-2-yl]phosphinothioyl]-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)P(=S)(N(C(C)C)C(C)C)[C@]1([Si](C)(C)C)O[C@H]1c1cccnc1.
What is the InChIKey of N-[[di(propan-2-yl)amino]-[(2S,3S)-3-pyridin-3-yl-2-trimethylsilyloxiran-2-yl]phosphinothioyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is YDIVGJMBROWTKB-FCHUYYIVSA-N. The full InChI is InChI=1S/C22H42N3OPSSi/c1-16(2)24(17(3)4)27(28,25(18(5)6)19(7)8)22(29(9,10)11)21(26-22)20-13-12-14-23-15-20/h12-19,21H,1-11H3/t21-,22+/m0/s1.
What are the key properties of N-[[di(propan-2-yl)amino]-[(2S,3S)-3-pyridin-3-yl-2-trimethylsilyloxiran-2-yl]phosphinothioyl]-N-propan-2-ylpropan-2-amine?
N-[[di(propan-2-yl)amino]-[(2S,3S)-3-pyridin-3-yl-2-trimethylsilyloxiran-2-yl]phosphinothioyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 455.73 g/mol, XLogP of 6.27, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[di(propan-2-yl)amino]-[(2S,3S)-3-pyridin-3-yl-2-trimethylsilyloxiran-2-yl]phosphinothioyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 44585290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).