N-[12-[tert-butyl(dimethyl)silyl]oxydodecyl]cyclopropanesulfonamide

C21H45NO3SSi — CID 69045747

IUPACN-[12-[tert-butyl(dimethyl)silyl]oxydodecyl]cyclopropanesulfonamide
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCCCCCNS(=O)(=O)C1CC1
InChIInChI=1S/C21H45NO3SSi/c1-21(2,3)27(4,5)25-19-15-13-11-9-7-6-8-10-12-14-18-22-26(23,24)20-16-17-20/h20,22H,6-19H2,1-5H3
InChIKeyKXVQGXZKPKOJDC-UHFFFAOYSA-N
MW419.75 g/mol
LogP5.99
Rot. Bonds16

About N-[12-[tert-butyl(dimethyl)silyl]oxydodecyl]cyclopropanesulfonamide

N-[12-[tert-butyl(dimethyl)silyl]oxydodecyl]cyclopropanesulfonamide (PubChem CID 69045747) has the molecular formula C21H45NO3SSi and a molecular weight of 419.75 g/mol. Its IUPAC name is N-[12-[tert-butyl(dimethyl)silyl]oxydodecyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[12-[tert-butyl(dimethyl)silyl]oxydodecyl]cyclopropanesulfonamide
PubChem CID69045747
Molecular FormulaC21H45NO3SSi
Molecular Weight419.75 g/mol
Exact Mass419.29
IUPAC NameN-[12-[tert-butyl(dimethyl)silyl]oxydodecyl]cyclopropanesulfonamide
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCCCCCNS(=O)(=O)C1CC1
InChIInChI=1S/C21H45NO3SSi/c1-21(2,3)27(4,5)25-19-15-13-11-9-7-6-8-10-12-14-18-22-26(23,24)20-16-17-20/h20,22H,6-19H2,1-5H3
InChIKeyKXVQGXZKPKOJDC-UHFFFAOYSA-N
XLogP5.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.75
LogP ≤ 55.99
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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Related Compounds

tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclobutanamine
CID 71580660
2-bromo-N-[5-[tert-butyl(dimethyl)silyl]oxypentyl]acetamide
CID 170899815
N-butyl-4-[tert-butyl(dimethyl)silyl]oxybutan-1-amine
CID 146913472
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
N-(6-bromohexyl)oxane-4-sulfonamide
CID 107848871
2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10928807
3-[tert-butyl(dimethyl)silyl]oxypropane-1-sulfonamide
CID 153437849
N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]-N-cyclohexyl-2-methylpropane-2-sulfonamide
CID 71713804
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755

Frequently Asked Questions

What is the IUPAC name of N-[12-[tert-butyl(dimethyl)silyl]oxydodecyl]cyclopropanesulfonamide?
The IUPAC name of N-[12-[tert-butyl(dimethyl)silyl]oxydodecyl]cyclopropanesulfonamide (CID 69045747) is N-[12-[tert-butyl(dimethyl)silyl]oxydodecyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[12-[tert-butyl(dimethyl)silyl]oxydodecyl]cyclopropanesulfonamide?
The canonical SMILES for N-[12-[tert-butyl(dimethyl)silyl]oxydodecyl]cyclopropanesulfonamide is CC(C)(C)[Si](C)(C)OCCCCCCCCCCCCNS(=O)(=O)C1CC1.
What is the InChIKey of N-[12-[tert-butyl(dimethyl)silyl]oxydodecyl]cyclopropanesulfonamide?
The InChIKey is KXVQGXZKPKOJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO3SSi/c1-21(2,3)27(4,5)25-19-15-13-11-9-7-6-8-10-12-14-18-22-26(23,24)20-16-17-20/h20,22H,6-19H2,1-5H3.
What are the key properties of N-[12-[tert-butyl(dimethyl)silyl]oxydodecyl]cyclopropanesulfonamide?
N-[12-[tert-butyl(dimethyl)silyl]oxydodecyl]cyclopropanesulfonamide has a molecular weight of 419.75 g/mol, XLogP of 5.99, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[12-[tert-butyl(dimethyl)silyl]oxydodecyl]cyclopropanesulfonamide is sourced from PubChem (CID 69045747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).