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

C16H33NO2SSi — CID 123290362

IUPACN-[1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-ylidene]-2-methylpropane-2-sulfinamide
SMILESCC(CC1(O[Si](C)(C)C(C)(C)C)CC1)=NS(=O)C(C)(C)C
InChIInChI=1S/C16H33NO2SSi/c1-13(17-20(18)14(2,3)4)12-16(10-11-16)19-21(8,9)15(5,6)7/h10-12H2,1-9H3
InChIKeyZWEULMADUVUZLF-UHFFFAOYSA-N
MW331.60 g/mol
LogP4.85
Rot. Bonds5

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

N-[1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-ylidene]-2-methylpropane-2-sulfinamide (PubChem CID 123290362) has the molecular formula C16H33NO2SSi and a molecular weight of 331.60 g/mol. Its IUPAC name is N-[1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-ylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-ylidene]-2-methylpropane-2-sulfinamide
PubChem CID123290362
Molecular FormulaC16H33NO2SSi
Molecular Weight331.60 g/mol
Exact Mass331.20
IUPAC NameN-[1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-ylidene]-2-methylpropane-2-sulfinamide
SMILESCC(CC1(O[Si](C)(C)C(C)(C)C)CC1)=NS(=O)C(C)(C)C
InChIInChI=1S/C16H33NO2SSi/c1-13(17-20(18)14(2,3)4)12-16(10-11-16)19-21(8,9)15(5,6)7/h10-12H2,1-9H3
InChIKeyZWEULMADUVUZLF-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'}

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Related Compounds

1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one
CID 123838797
(NE,S)-N-[1-[tert-butyl(dimethyl)silyl]oxypropan-2-ylidene]-2-methylpropane-2-sulfinamide
CID 90089971
N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 67305059
N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 67305445
(R)-N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 172726101
(S)-N-butan-2-ylidene-2-methylpropane-2-sulfinamide
CID 129363243
(NE)-N-(1-chloropropan-2-ylidene)-2-methylpropane-2-sulfinamide
CID 177419638
(NE,R)-N-decan-2-ylidene-2-methylpropane-2-sulfinamide
CID 16753574
tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane
CID 66844818
(R)-N-(1-cyclopropylethylidene)-2-methylpropane-2-sulfinamide
CID 90402650
tert-butyl-dimethyl-(4-methyl-1-propylcyclohexyl)oxysilane
CID 70179351
2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde
CID 125449879

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-ylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-ylidene]-2-methylpropane-2-sulfinamide (CID 123290362) is N-[1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-ylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-ylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-ylidene]-2-methylpropane-2-sulfinamide is CC(CC1(O[Si](C)(C)C(C)(C)C)CC1)=NS(=O)C(C)(C)C.
What is the InChIKey of N-[1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-ylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is ZWEULMADUVUZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2SSi/c1-13(17-20(18)14(2,3)4)12-16(10-11-16)19-21(8,9)15(5,6)7/h10-12H2,1-9H3.
What are the key properties of N-[1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-ylidene]-2-methylpropane-2-sulfinamide?
N-[1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-ylidene]-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-[1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-ylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 123290362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).