ethyl (1Z)-5-[tert-butyl(dimethyl)silyl]oxy-N-hydroxypentanimidothioate

C13H29NO2SSi — CID 56834455

IUPACethyl (1Z)-5-[tert-butyl(dimethyl)silyl]oxy-N-hydroxypentanimidothioate
SMILESCCS/C(CCCCO[Si](C)(C)C(C)(C)C)=N\O
InChIInChI=1S/C13H29NO2SSi/c1-7-17-12(14-15)10-8-9-11-16-18(5,6)13(2,3)4/h15H,7-11H2,1-6H3/b14-12-
InChIKeyZKILUZBVRTWZJN-OWBHPGMISA-N
MW291.53 g/mol
LogP4.72
Rot. Bonds7

About ethyl (1Z)-5-[tert-butyl(dimethyl)silyl]oxy-N-hydroxypentanimidothioate

ethyl (1Z)-5-[tert-butyl(dimethyl)silyl]oxy-N-hydroxypentanimidothioate (PubChem CID 56834455) has the molecular formula C13H29NO2SSi and a molecular weight of 291.53 g/mol. Its IUPAC name is ethyl (1Z)-5-[tert-butyl(dimethyl)silyl]oxy-N-hydroxypentanimidothioate.

Molecular Properties

Compound Nameethyl (1Z)-5-[tert-butyl(dimethyl)silyl]oxy-N-hydroxypentanimidothioate
PubChem CID56834455
Molecular FormulaC13H29NO2SSi
Molecular Weight291.53 g/mol
Exact Mass291.17
IUPAC Nameethyl (1Z)-5-[tert-butyl(dimethyl)silyl]oxy-N-hydroxypentanimidothioate
SMILESCCS/C(CCCCO[Si](C)(C)C(C)(C)C)=N\O
InChIInChI=1S/C13H29NO2SSi/c1-7-17-12(14-15)10-8-9-11-16-18(5,6)13(2,3)4/h15H,7-11H2,1-6H3/b14-12-
InChIKeyZKILUZBVRTWZJN-OWBHPGMISA-N
XLogP4.72
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.53
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze ethyl (1Z)-5-[tert-butyl(dimethyl)silyl]oxy-N-hydroxypentanimidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
ethyl N,4-dihydroxybutanimidothioate
CID 130130184
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
N-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]hydroxylamine
CID 171665671
[tert-butyl(dimethyl)silyl] 5-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 22907893
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
tert-butyl-[(Z)-6-butylselanyl-5-butylsulfanylhex-5-enoxy]-dimethylsilane
CID 11293530
ethyl (1Z)-2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-hydroxyethanimidothioate
CID 56834457
azane;butoxy-tert-butyl-dimethylsilane
CID 87971025

Frequently Asked Questions

What is the IUPAC name of ethyl (1Z)-5-[tert-butyl(dimethyl)silyl]oxy-N-hydroxypentanimidothioate?
The IUPAC name of ethyl (1Z)-5-[tert-butyl(dimethyl)silyl]oxy-N-hydroxypentanimidothioate (CID 56834455) is ethyl (1Z)-5-[tert-butyl(dimethyl)silyl]oxy-N-hydroxypentanimidothioate.
What is the SMILES notation for ethyl (1Z)-5-[tert-butyl(dimethyl)silyl]oxy-N-hydroxypentanimidothioate?
The canonical SMILES for ethyl (1Z)-5-[tert-butyl(dimethyl)silyl]oxy-N-hydroxypentanimidothioate is CCS/C(CCCCO[Si](C)(C)C(C)(C)C)=N\O.
What is the InChIKey of ethyl (1Z)-5-[tert-butyl(dimethyl)silyl]oxy-N-hydroxypentanimidothioate?
The InChIKey is ZKILUZBVRTWZJN-OWBHPGMISA-N. The full InChI is InChI=1S/C13H29NO2SSi/c1-7-17-12(14-15)10-8-9-11-16-18(5,6)13(2,3)4/h15H,7-11H2,1-6H3/b14-12-.
What are the key properties of ethyl (1Z)-5-[tert-butyl(dimethyl)silyl]oxy-N-hydroxypentanimidothioate?
ethyl (1Z)-5-[tert-butyl(dimethyl)silyl]oxy-N-hydroxypentanimidothioate has a molecular weight of 291.53 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1Z)-5-[tert-butyl(dimethyl)silyl]oxy-N-hydroxypentanimidothioate is sourced from PubChem (CID 56834455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).