1-[5-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]-4-fluorothiophen-2-yl]-N,N-dimethylmethanamine

C13H24ClFN2OS2Si — CID 151290189

IUPAC1-[5-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]-4-fluorothiophen-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(F)c(S(=O)(Cl)=N[Si](C)(C)C(C)(C)C)s1
InChIInChI=1S/C13H24ClFN2OS2Si/c1-13(2,3)21(6,7)16-20(14,18)12-11(15)8-10(19-12)9-17(4)5/h8H,9H2,1-7H3
InChIKeyOAGPYCJIYQEBEY-UHFFFAOYSA-N
MW371.02 g/mol
LogP4.93
Rot. Bonds4

About 1-[5-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]-4-fluorothiophen-2-yl]-N,N-dimethylmethanamine

1-[5-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]-4-fluorothiophen-2-yl]-N,N-dimethylmethanamine (PubChem CID 151290189) has the molecular formula C13H24ClFN2OS2Si and a molecular weight of 371.02 g/mol. Its IUPAC name is 1-[5-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]-4-fluorothiophen-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]-4-fluorothiophen-2-yl]-N,N-dimethylmethanamine
PubChem CID151290189
Molecular FormulaC13H24ClFN2OS2Si
Molecular Weight371.02 g/mol
Exact Mass370.08
IUPAC Name1-[5-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]-4-fluorothiophen-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cc(F)c(S(=O)(Cl)=N[Si](C)(C)C(C)(C)C)s1
InChIInChI=1S/C13H24ClFN2OS2Si/c1-13(2,3)21(6,7)16-20(14,18)12-11(15)8-10(19-12)9-17(4)5/h8H,9H2,1-7H3
InChIKeyOAGPYCJIYQEBEY-UHFFFAOYSA-N
XLogP4.93
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.02
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-[5-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]-4-fluorothiophen-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]-4-fluorothiophen-2-yl]-N,N-dimethylmethanamine (CID 151290189) is 1-[5-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]-4-fluorothiophen-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]-4-fluorothiophen-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]-4-fluorothiophen-2-yl]-N,N-dimethylmethanamine is CN(C)Cc1cc(F)c(S(=O)(Cl)=N[Si](C)(C)C(C)(C)C)s1.
What is the InChIKey of 1-[5-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]-4-fluorothiophen-2-yl]-N,N-dimethylmethanamine?
The InChIKey is OAGPYCJIYQEBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClFN2OS2Si/c1-13(2,3)21(6,7)16-20(14,18)12-11(15)8-10(19-12)9-17(4)5/h8H,9H2,1-7H3.
What are the key properties of 1-[5-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]-4-fluorothiophen-2-yl]-N,N-dimethylmethanamine?
1-[5-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]-4-fluorothiophen-2-yl]-N,N-dimethylmethanamine has a molecular weight of 371.02 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[N-[tert-butyl(dimethyl)silyl]-S-chlorosulfonimidoyl]-4-fluorothiophen-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 151290189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).