N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-trimethylsilylethanesulfonamide

C11H25NO4SSi — CID 19426282

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-trimethylsilylethanesulfonamide
SMILESCC1(C)OCC(CNS(=O)(=O)CC[Si](C)(C)C)O1
InChIInChI=1S/C11H25NO4SSi/c1-11(2)15-9-10(16-11)8-12-17(13,14)6-7-18(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyPAXFFQKSFNSONY-UHFFFAOYSA-N
MW295.48 g/mol
LogP1.40
Rot. Bonds6

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-trimethylsilylethanesulfonamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-trimethylsilylethanesulfonamide (PubChem CID 19426282) has the molecular formula C11H25NO4SSi and a molecular weight of 295.48 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-trimethylsilylethanesulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-trimethylsilylethanesulfonamide
PubChem CID19426282
Molecular FormulaC11H25NO4SSi
Molecular Weight295.48 g/mol
Exact Mass295.13
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-trimethylsilylethanesulfonamide
SMILESCC1(C)OCC(CNS(=O)(=O)CC[Si](C)(C)C)O1
InChIInChI=1S/C11H25NO4SSi/c1-11(2)15-9-10(16-11)8-12-17(13,14)6-7-18(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyPAXFFQKSFNSONY-UHFFFAOYSA-N
XLogP1.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.48
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylsulfonylethanesulfonamide
CID 107389863
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methoxyethanesulfonamide
CID 107389947
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 107389889
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
CID 23541087
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]azepane-1-sulfonamide
CID 107389899
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282
N-chloro-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanesulfonamide
CID 87571308
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylbenzenesulfonamide
CID 3261303
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 113267686
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzenesulfonamide
CID 107389989
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanesulfonic acid
CID 87931343

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-trimethylsilylethanesulfonamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-trimethylsilylethanesulfonamide (CID 19426282) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-trimethylsilylethanesulfonamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-trimethylsilylethanesulfonamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-trimethylsilylethanesulfonamide is CC1(C)OCC(CNS(=O)(=O)CC[Si](C)(C)C)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-trimethylsilylethanesulfonamide?
The InChIKey is PAXFFQKSFNSONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4SSi/c1-11(2)15-9-10(16-11)8-12-17(13,14)6-7-18(3,4)5/h10,12H,6-9H2,1-5H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-trimethylsilylethanesulfonamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-trimethylsilylethanesulfonamide has a molecular weight of 295.48 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-trimethylsilylethanesulfonamide is sourced from PubChem (CID 19426282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).