(2S)-2-methyl-N-(3-trimethylsilylpropyl)morpholine-4-sulfonamide

C11H26N2O3SSi — CID 100761665

IUPAC(2S)-2-methyl-N-(3-trimethylsilylpropyl)morpholine-4-sulfonamide
SMILESC[C@H]1CN(S(=O)(=O)NCCC[Si](C)(C)C)CCO1
InChIInChI=1S/C11H26N2O3SSi/c1-11-10-13(7-8-16-11)17(14,15)12-6-5-9-18(2,3)4/h11-12H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyGBFPZLJHZMLDLL-NSHDSACASA-N
MW294.49 g/mol
LogP1.27
Rot. Bonds6

About (2S)-2-methyl-N-(3-trimethylsilylpropyl)morpholine-4-sulfonamide

(2S)-2-methyl-N-(3-trimethylsilylpropyl)morpholine-4-sulfonamide (PubChem CID 100761665) has the molecular formula C11H26N2O3SSi and a molecular weight of 294.49 g/mol. Its IUPAC name is (2S)-2-methyl-N-(3-trimethylsilylpropyl)morpholine-4-sulfonamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(3-trimethylsilylpropyl)morpholine-4-sulfonamide
PubChem CID100761665
Molecular FormulaC11H26N2O3SSi
Molecular Weight294.49 g/mol
Exact Mass294.14
IUPAC Name(2S)-2-methyl-N-(3-trimethylsilylpropyl)morpholine-4-sulfonamide
SMILESC[C@H]1CN(S(=O)(=O)NCCC[Si](C)(C)C)CCO1
InChIInChI=1S/C11H26N2O3SSi/c1-11-10-13(7-8-16-11)17(14,15)12-6-5-9-18(2,3)4/h11-12H,5-10H2,1-4H3/t11-/m0/s1
InChIKeyGBFPZLJHZMLDLL-NSHDSACASA-N
XLogP1.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(3-trimethylsilylpropyl)morpholine-4-sulfonamide?
The IUPAC name of (2S)-2-methyl-N-(3-trimethylsilylpropyl)morpholine-4-sulfonamide (CID 100761665) is (2S)-2-methyl-N-(3-trimethylsilylpropyl)morpholine-4-sulfonamide.
What is the SMILES notation for (2S)-2-methyl-N-(3-trimethylsilylpropyl)morpholine-4-sulfonamide?
The canonical SMILES for (2S)-2-methyl-N-(3-trimethylsilylpropyl)morpholine-4-sulfonamide is C[C@H]1CN(S(=O)(=O)NCCC[Si](C)(C)C)CCO1.
What is the InChIKey of (2S)-2-methyl-N-(3-trimethylsilylpropyl)morpholine-4-sulfonamide?
The InChIKey is GBFPZLJHZMLDLL-NSHDSACASA-N. The full InChI is InChI=1S/C11H26N2O3SSi/c1-11-10-13(7-8-16-11)17(14,15)12-6-5-9-18(2,3)4/h11-12H,5-10H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-N-(3-trimethylsilylpropyl)morpholine-4-sulfonamide?
(2S)-2-methyl-N-(3-trimethylsilylpropyl)morpholine-4-sulfonamide has a molecular weight of 294.49 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(3-trimethylsilylpropyl)morpholine-4-sulfonamide is sourced from PubChem (CID 100761665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).