[(1S)-3-(dimethylamino)-1-trimethylstannylpropyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C16H34N2O3Sn — CID 15936540

IUPAC[(1S)-3-(dimethylamino)-1-trimethylstannylpropyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCN(C)CC[C@@H](OC(=O)N1C(C)(C)COC1(C)C)[Sn](C)(C)C
InChIInChI=1S/C13H25N2O3.3CH3.Sn/c1-12(2)10-18-13(3,4)15(12)11(16)17-9-7-8-14(5)6;;;;/h9H,7-8,10H2,1-6H3;3*1H3;
InChIKeyQGWAKFPRQMXKBQ-UHFFFAOYSA-N
MW421.17 g/mol
LogP3.17
Rot. Bonds5

About [(1S)-3-(dimethylamino)-1-trimethylstannylpropyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[(1S)-3-(dimethylamino)-1-trimethylstannylpropyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 15936540) has the molecular formula C16H34N2O3Sn and a molecular weight of 421.17 g/mol. Its IUPAC name is [(1S)-3-(dimethylamino)-1-trimethylstannylpropyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(1S)-3-(dimethylamino)-1-trimethylstannylpropyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID15936540
Molecular FormulaC16H34N2O3Sn
Molecular Weight421.17 g/mol
Exact Mass422.16
IUPAC Name[(1S)-3-(dimethylamino)-1-trimethylstannylpropyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCN(C)CC[C@@H](OC(=O)N1C(C)(C)COC1(C)C)[Sn](C)(C)C
InChIInChI=1S/C13H25N2O3.3CH3.Sn/c1-12(2)10-18-13(3,4)15(12)11(16)17-9-7-8-14(5)6;;;;/h9H,7-8,10H2,1-6H3;3*1H3;
InChIKeyQGWAKFPRQMXKBQ-UHFFFAOYSA-N
XLogP3.17
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.17
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S)-3-(dimethylamino)-1-trimethylstannylpropyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(1S)-3-(dimethylamino)-1-trimethylstannylpropyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 15936540) is [(1S)-3-(dimethylamino)-1-trimethylstannylpropyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(1S)-3-(dimethylamino)-1-trimethylstannylpropyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(1S)-3-(dimethylamino)-1-trimethylstannylpropyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CN(C)CC[C@@H](OC(=O)N1C(C)(C)COC1(C)C)[Sn](C)(C)C.
What is the InChIKey of [(1S)-3-(dimethylamino)-1-trimethylstannylpropyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is QGWAKFPRQMXKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N2O3.3CH3.Sn/c1-12(2)10-18-13(3,4)15(12)11(16)17-9-7-8-14(5)6;;;;/h9H,7-8,10H2,1-6H3;3*1H3;.
What are the key properties of [(1S)-3-(dimethylamino)-1-trimethylstannylpropyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(1S)-3-(dimethylamino)-1-trimethylstannylpropyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 421.17 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-3-(dimethylamino)-1-trimethylstannylpropyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 15936540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).