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

C15H31NO2SSi — CID 67305059

IUPACN-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=CCC1(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C15H31NO2SSi/c1-13(2,3)19(17)16-12-11-15(9-10-15)18-20(7,8)14(4,5)6/h12H,9-11H2,1-8H3
InChIKeyPOAWFSBZHPQRQQ-UHFFFAOYSA-N
MW317.57 g/mol
LogP4.46
Rot. Bonds5

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

N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 67305059) has the molecular formula C15H31NO2SSi and a molecular weight of 317.57 g/mol. Its IUPAC name is N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID67305059
Molecular FormulaC15H31NO2SSi
Molecular Weight317.57 g/mol
Exact Mass317.18
IUPAC NameN-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=CCC1(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C15H31NO2SSi/c1-13(2,3)19(17)16-12-11-15(9-10-15)18-20(7,8)14(4,5)6/h12H,9-11H2,1-8H3
InChIKeyPOAWFSBZHPQRQQ-UHFFFAOYSA-N
XLogP4.46
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 54.46
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]ethylidene]-2-methylpropane-2-sulfinamide (CID 67305059) is N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]ethylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=CCC1(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is POAWFSBZHPQRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2SSi/c1-13(2,3)19(17)16-12-11-15(9-10-15)18-20(7,8)14(4,5)6/h12H,9-11H2,1-8H3.
What are the key properties of N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]ethylidene]-2-methylpropane-2-sulfinamide?
N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 317.57 g/mol, XLogP of 4.46, 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]oxycyclopropyl]ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 67305059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).