N-[1-[dimethyl(propan-2-yloxy)silyl]-3-fluorobut-3-en-2-yl]-2-methylpropane-2-sulfinamide

C13H28FNO2SSi — CID 174058677

IUPACN-[1-[dimethyl(propan-2-yloxy)silyl]-3-fluorobut-3-en-2-yl]-2-methylpropane-2-sulfinamide
SMILESC=C(F)C(C[Si](C)(C)OC(C)C)NS(=O)C(C)(C)C
InChIInChI=1S/C13H28FNO2SSi/c1-10(2)17-19(7,8)9-12(11(3)14)15-18(16)13(4,5)6/h10,12,15H,3,9H2,1-2,4-8H3
InChIKeyWYPLLEIPYDWOQC-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.52
Rot. Bonds7

About N-[1-[dimethyl(propan-2-yloxy)silyl]-3-fluorobut-3-en-2-yl]-2-methylpropane-2-sulfinamide

N-[1-[dimethyl(propan-2-yloxy)silyl]-3-fluorobut-3-en-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 174058677) has the molecular formula C13H28FNO2SSi and a molecular weight of 309.52 g/mol. Its IUPAC name is N-[1-[dimethyl(propan-2-yloxy)silyl]-3-fluorobut-3-en-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-[dimethyl(propan-2-yloxy)silyl]-3-fluorobut-3-en-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID174058677
Molecular FormulaC13H28FNO2SSi
Molecular Weight309.52 g/mol
Exact Mass309.16
IUPAC NameN-[1-[dimethyl(propan-2-yloxy)silyl]-3-fluorobut-3-en-2-yl]-2-methylpropane-2-sulfinamide
SMILESC=C(F)C(C[Si](C)(C)OC(C)C)NS(=O)C(C)(C)C
InChIInChI=1S/C13H28FNO2SSi/c1-10(2)17-19(7,8)9-12(11(3)14)15-18(16)13(4,5)6/h10,12,15H,3,9H2,1-2,4-8H3
InChIKeyWYPLLEIPYDWOQC-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[dimethyl(propan-2-yloxy)silyl]-3-fluorobut-3-en-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-[dimethyl(propan-2-yloxy)silyl]-3-fluorobut-3-en-2-yl]-2-methylpropane-2-sulfinamide (CID 174058677) is N-[1-[dimethyl(propan-2-yloxy)silyl]-3-fluorobut-3-en-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-[dimethyl(propan-2-yloxy)silyl]-3-fluorobut-3-en-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-[dimethyl(propan-2-yloxy)silyl]-3-fluorobut-3-en-2-yl]-2-methylpropane-2-sulfinamide is C=C(F)C(C[Si](C)(C)OC(C)C)NS(=O)C(C)(C)C.
What is the InChIKey of N-[1-[dimethyl(propan-2-yloxy)silyl]-3-fluorobut-3-en-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is WYPLLEIPYDWOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28FNO2SSi/c1-10(2)17-19(7,8)9-12(11(3)14)15-18(16)13(4,5)6/h10,12,15H,3,9H2,1-2,4-8H3.
What are the key properties of N-[1-[dimethyl(propan-2-yloxy)silyl]-3-fluorobut-3-en-2-yl]-2-methylpropane-2-sulfinamide?
N-[1-[dimethyl(propan-2-yloxy)silyl]-3-fluorobut-3-en-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 309.52 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[dimethyl(propan-2-yloxy)silyl]-3-fluorobut-3-en-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 174058677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).