N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide

C16H33NO2SSi — CID 67305445

IUPACN-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=CCC1(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C16H33NO2SSi/c1-14(2,3)20(18)17-13-12-16(10-9-11-16)19-21(7,8)15(4,5)6/h13H,9-12H2,1-8H3
InChIKeyLAJMUCNVLPHHFE-UHFFFAOYSA-N
MW331.60 g/mol
LogP4.85
Rot. Bonds5

About N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide

N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 67305445) has the molecular formula C16H33NO2SSi and a molecular weight of 331.60 g/mol. Its IUPAC name is N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID67305445
Molecular FormulaC16H33NO2SSi
Molecular Weight331.60 g/mol
Exact Mass331.20
IUPAC NameN-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=CCC1(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C16H33NO2SSi/c1-14(2,3)20(18)17-13-12-16(10-9-11-16)19-21(7,8)15(4,5)6/h13H,9-12H2,1-8H3
InChIKeyLAJMUCNVLPHHFE-UHFFFAOYSA-N
XLogP4.85
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.60
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide (CID 67305445) is N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=CCC1(O[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is LAJMUCNVLPHHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2SSi/c1-14(2,3)20(18)17-13-12-16(10-9-11-16)19-21(7,8)15(4,5)6/h13H,9-12H2,1-8H3.
What are the key properties of N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide?
N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 331.60 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 67305445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).