(NE)-N-[[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methylidene]-2-methylpropane-2-sulfinamide

C15H31NO2SSi — CID 89421058

IUPAC(NE)-N-[[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C/C1CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H31NO2SSi/c1-14(2,3)19(17)16-11-12-9-13(10-12)18-20(7,8)15(4,5)6/h11-13H,9-10H2,1-8H3/b16-11+
InChIKeyFHVSNBRITVIQCU-LFIBNONCSA-N
MW317.57 g/mol
LogP4.32
Rot. Bonds4

About (NE)-N-[[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methylidene]-2-methylpropane-2-sulfinamide

(NE)-N-[[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 89421058) has the molecular formula C15H31NO2SSi and a molecular weight of 317.57 g/mol. Its IUPAC name is (NE)-N-[[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-N-[[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methylidene]-2-methylpropane-2-sulfinamide
PubChem CID89421058
Molecular FormulaC15H31NO2SSi
Molecular Weight317.57 g/mol
Exact Mass317.18
IUPAC Name(NE)-N-[[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C/C1CC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H31NO2SSi/c1-14(2,3)19(17)16-11-12-9-13(10-12)18-20(7,8)15(4,5)6/h11-13H,9-10H2,1-8H3/b16-11+
InChIKeyFHVSNBRITVIQCU-LFIBNONCSA-N
XLogP4.32
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 54.32
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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Related Compounds

(S)-2-methyl-N-[(3-methylcyclobutyl)methylidene]propane-2-sulfinamide
CID 159372878
(NE)-N-[[(1S,5R)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]methylidene]-2-methylpropane-2-sulfinamide
CID 167245870
(NE,R)-N-(cyclobutylmethylidene)-2-methylpropane-2-sulfinamide
CID 118440743
(NE)-2-methyl-N-(oxan-4-ylmethylidene)propane-2-sulfinamide
CID 87243728
tert-butyl-dimethyl-[[(5R)-6-oxabicyclo[3.1.0]hexan-3-yl]oxy]silane
CID 89397580
3-[tert-butyl(dimethyl)silyl]oxy-N-methylcyclobutan-1-amine
CID 170768326
cis-(1R,3S)-5-[tert-butyl(dimethyl)silyl]oxycyclohexane-1,3-diol
CID 11791488
1-[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethanamine
CID 71279786
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 67305059
(NE,S)-N-[(1-ethylpiperidin-4-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 142332371
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanethiol
CID 171781505

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE)-N-[[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methylidene]-2-methylpropane-2-sulfinamide (CID 89421058) is (NE)-N-[[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE)-N-[[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE)-N-[[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)/N=C/C1CC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of (NE)-N-[[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is FHVSNBRITVIQCU-LFIBNONCSA-N. The full InChI is InChI=1S/C15H31NO2SSi/c1-14(2,3)19(17)16-11-12-9-13(10-12)18-20(7,8)15(4,5)6/h11-13H,9-10H2,1-8H3/b16-11+.
What are the key properties of (NE)-N-[[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methylidene]-2-methylpropane-2-sulfinamide?
(NE)-N-[[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 317.57 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 89421058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).