4-ethylsulfinyl-N,N-dimethylaniline

C10H15NOS — CID 100926411

IUPAC4-ethylsulfinyl-N,N-dimethylaniline
SMILESCCS(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C10H15NOS/c1-4-13(12)10-7-5-9(6-8-10)11(2)3/h5-8H,4H2,1-3H3
InChIKeyIIYQZPYTVCZOSH-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.88
Rot. Bonds3

About 4-ethylsulfinyl-N,N-dimethylaniline

4-ethylsulfinyl-N,N-dimethylaniline (PubChem CID 100926411) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 4-ethylsulfinyl-N,N-dimethylaniline.

Molecular Properties

Compound Name4-ethylsulfinyl-N,N-dimethylaniline
PubChem CID100926411
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name4-ethylsulfinyl-N,N-dimethylaniline
SMILESCCS(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C10H15NOS/c1-4-13(12)10-7-5-9(6-8-10)11(2)3/h5-8H,4H2,1-3H3
InChIKeyIIYQZPYTVCZOSH-UHFFFAOYSA-N
XLogP1.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfinyl-N,N-dimethylaniline?
The IUPAC name of 4-ethylsulfinyl-N,N-dimethylaniline (CID 100926411) is 4-ethylsulfinyl-N,N-dimethylaniline.
What is the SMILES notation for 4-ethylsulfinyl-N,N-dimethylaniline?
The canonical SMILES for 4-ethylsulfinyl-N,N-dimethylaniline is CCS(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-ethylsulfinyl-N,N-dimethylaniline?
The InChIKey is IIYQZPYTVCZOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-4-13(12)10-7-5-9(6-8-10)11(2)3/h5-8H,4H2,1-3H3.
What are the key properties of 4-ethylsulfinyl-N,N-dimethylaniline?
4-ethylsulfinyl-N,N-dimethylaniline has a molecular weight of 197.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfinyl-N,N-dimethylaniline is sourced from PubChem (CID 100926411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).