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

C17H35NO2SSi — CID 172726101

IUPAC(R)-N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=CCC1(O[Si](C)(C)C(C)(C)C)CCCC1
InChIInChI=1S/C17H35NO2SSi/c1-15(2,3)21(19)18-14-13-17(11-9-10-12-17)20-22(7,8)16(4,5)6/h14H,9-13H2,1-8H3/t21-/m1/s1
InChIKeyHEBNLEJRQKXKAA-OAQYLSRUSA-N
MW345.63 g/mol
LogP5.24
Rot. Bonds5

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

(R)-N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 172726101) has the molecular formula C17H35NO2SSi and a molecular weight of 345.63 g/mol. Its IUPAC name is (R)-N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID172726101
Molecular FormulaC17H35NO2SSi
Molecular Weight345.63 g/mol
Exact Mass345.22
IUPAC Name(R)-N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=CCC1(O[Si](C)(C)C(C)(C)C)CCCC1
InChIInChI=1S/C17H35NO2SSi/c1-15(2,3)21(19)18-14-13-17(11-9-10-12-17)20-22(7,8)16(4,5)6/h14H,9-13H2,1-8H3/t21-/m1/s1
InChIKeyHEBNLEJRQKXKAA-OAQYLSRUSA-N
XLogP5.24
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.63
LogP ≤ 55.24
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

N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclobutyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 67305445
N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 67305059
tert-butyl-dimethyl-(1-prop-2-enylcyclobutyl)oxysilane
CID 66844818
N-[1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-ylidene]-2-methylpropane-2-sulfinamide
CID 123290362
(R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide
CID 150420736
(S)-N-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutylidene]-2-methylpropane-2-sulfinamide
CID 172787805
2-[(1R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclopentyl]acetaldehyde
CID 125449879
(NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide
CID 135084343
(NZ,R)-2-methyl-N-propylidenepropane-2-sulfinamide
CID 129286833
cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[3-[1-[tert-butyl(dimethyl)silyl]oxycyclohexyl]prop-1-enyl]-2-methylidenecyclopentan-1-one
CID 67746988
(NE)-N-[[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methylidene]-2-methylpropane-2-sulfinamide
CID 89421058
1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one
CID 123838797

Frequently Asked Questions

What is the IUPAC name of (R)-N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethylidene]-2-methylpropane-2-sulfinamide (CID 172726101) is (R)-N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N=CCC1(O[Si](C)(C)C(C)(C)C)CCCC1.
What is the InChIKey of (R)-N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is HEBNLEJRQKXKAA-OAQYLSRUSA-N. The full InChI is InChI=1S/C17H35NO2SSi/c1-15(2,3)21(19)18-14-13-17(11-9-10-12-17)20-22(7,8)16(4,5)6/h14H,9-13H2,1-8H3/t21-/m1/s1.
What are the key properties of (R)-N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 345.63 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 172726101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).