N-[(2R)-1-hydroxypropan-2-yl]-2-trimethylsilylethanesulfonamide

C8H21NO3SSi — CID 117063206

IUPACN-[(2R)-1-hydroxypropan-2-yl]-2-trimethylsilylethanesulfonamide
SMILESC[C@H](CO)NS(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C8H21NO3SSi/c1-8(7-10)9-13(11,12)5-6-14(2,3)4/h8-10H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyDDUVWDZEWWLCGB-MRVPVSSYSA-N
MW239.41 g/mol
LogP0.62
Rot. Bonds6

About N-[(2R)-1-hydroxypropan-2-yl]-2-trimethylsilylethanesulfonamide

N-[(2R)-1-hydroxypropan-2-yl]-2-trimethylsilylethanesulfonamide (PubChem CID 117063206) has the molecular formula C8H21NO3SSi and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-2-trimethylsilylethanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-2-trimethylsilylethanesulfonamide
PubChem CID117063206
Molecular FormulaC8H21NO3SSi
Molecular Weight239.41 g/mol
Exact Mass239.10
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-2-trimethylsilylethanesulfonamide
SMILESC[C@H](CO)NS(=O)(=O)CC[Si](C)(C)C
InChIInChI=1S/C8H21NO3SSi/c1-8(7-10)9-13(11,12)5-6-14(2,3)4/h8-10H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyDDUVWDZEWWLCGB-MRVPVSSYSA-N
XLogP0.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-2-methoxyethanesulfonamide
CID 64722345
N-(1-hydroxypropan-2-yl)butane-1-sulfonamide
CID 43502189
N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropane-1-sulfonamide
CID 79027401
N-(1-hydroxypropan-2-yl)propane-2-sulfonamide
CID 58551854
1,1,1-trifluoro-N-[(2R)-1-hydroxypropan-2-yl]methanesulfonamide
CID 79027896
1-cyclopropyl-N-(1-hydroxypropan-2-yl)methanesulfonamide
CID 64987940
1-cyclohexyl-N-[(2R)-1-hydroxypropan-2-yl]methanesulfonamide
CID 64722343
N-[(2R)-1-hydroxypropan-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 64722552
1,1-difluoro-N-(1-hydroxypropan-2-yl)methanesulfonamide
CID 43502124
N-[(E)-5-oxo-5-phenylpent-3-en-2-yl]-2-trimethylsilylethanesulfonamide
CID 135059571
N-(4-hydroxybutan-2-yl)-2-methylsulfonylethanesulfonamide
CID 115477904
N-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide
CID 82939293

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-2-trimethylsilylethanesulfonamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-2-trimethylsilylethanesulfonamide (CID 117063206) is N-[(2R)-1-hydroxypropan-2-yl]-2-trimethylsilylethanesulfonamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-2-trimethylsilylethanesulfonamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-2-trimethylsilylethanesulfonamide is C[C@H](CO)NS(=O)(=O)CC[Si](C)(C)C.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-2-trimethylsilylethanesulfonamide?
The InChIKey is DDUVWDZEWWLCGB-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H21NO3SSi/c1-8(7-10)9-13(11,12)5-6-14(2,3)4/h8-10H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-2-trimethylsilylethanesulfonamide?
N-[(2R)-1-hydroxypropan-2-yl]-2-trimethylsilylethanesulfonamide has a molecular weight of 239.41 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-2-trimethylsilylethanesulfonamide is sourced from PubChem (CID 117063206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).