(R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide

C14H31NO2SSi — CID 150420736

IUPAC(R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide
SMILESCC(CC=N[S@](=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H31NO2SSi/c1-12(17-19(8,9)14(5,6)7)10-11-15-18(16)13(2,3)4/h11-12H,10H2,1-9H3/t12?,18-/m1/s1
InChIKeyHHSNBYWXVXONAM-VMHBGOFLSA-N
MW305.56 g/mol
LogP4.32
Rot. Bonds5

About (R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide

(R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide (PubChem CID 150420736) has the molecular formula C14H31NO2SSi and a molecular weight of 305.56 g/mol. Its IUPAC name is (R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide
PubChem CID150420736
Molecular FormulaC14H31NO2SSi
Molecular Weight305.56 g/mol
Exact Mass305.18
IUPAC Name(R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide
SMILESCC(CC=N[S@](=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H31NO2SSi/c1-12(17-19(8,9)14(5,6)7)10-11-15-18(16)13(2,3)4/h11-12H,10H2,1-9H3/t12?,18-/m1/s1
InChIKeyHHSNBYWXVXONAM-VMHBGOFLSA-N
XLogP4.32
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.56
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)-N-[3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutylidene]-2-methylpropane-2-sulfinamide
CID 172787805
(R)-2-methyl-N-(3-methylbutylidene)propane-2-sulfinamide
CID 91197470
tert-butyl-[[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutylidene]amino]-oxidosulfanium
CID 175131930
(E)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 5371565
N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 67305059
(R)-N-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 172726101
tert-butyl-(6-iodohex-4-en-2-yloxy)-dimethylsilane
CID 54066938
(5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 71354514
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoic acid
CID 11149233
(NE,S)-N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxypropylidene]-2-methylpropane-2-sulfinamide
CID 87146449
(NZ,R)-2-methyl-N-propylidenepropane-2-sulfinamide
CID 129286833
(NE,S)-2-methyl-N-propylidenepropane-2-sulfinamide
CID 135084343

Frequently Asked Questions

What is the IUPAC name of (R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide (CID 150420736) is (R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide is CC(CC=N[S@](=O)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is HHSNBYWXVXONAM-VMHBGOFLSA-N. The full InChI is InChI=1S/C14H31NO2SSi/c1-12(17-19(8,9)14(5,6)7)10-11-15-18(16)13(2,3)4/h11-12H,10H2,1-9H3/t12?,18-/m1/s1.
What are the key properties of (R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 305.56 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[3-[tert-butyl(dimethyl)silyl]oxybutylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 150420736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).