2-tert-butylsulfinyl-N,N-dimethylaniline

C12H19NOS — CID 86245441

IUPAC2-tert-butylsulfinyl-N,N-dimethylaniline
SMILESCN(C)c1ccccc1S(=O)C(C)(C)C
InChIInChI=1S/C12H19NOS/c1-12(2,3)15(14)11-9-7-6-8-10(11)13(4)5/h6-9H,1-5H3
InChIKeyLMBBIWWCWVHNHA-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.66
Rot. Bonds2

About 2-tert-butylsulfinyl-N,N-dimethylaniline

2-tert-butylsulfinyl-N,N-dimethylaniline (PubChem CID 86245441) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-tert-butylsulfinyl-N,N-dimethylaniline.

Molecular Properties

Compound Name2-tert-butylsulfinyl-N,N-dimethylaniline
PubChem CID86245441
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-tert-butylsulfinyl-N,N-dimethylaniline
SMILESCN(C)c1ccccc1S(=O)C(C)(C)C
InChIInChI=1S/C12H19NOS/c1-12(2,3)15(14)11-9-7-6-8-10(11)13(4)5/h6-9H,1-5H3
InChIKeyLMBBIWWCWVHNHA-UHFFFAOYSA-N
XLogP2.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfinyl-N,N-dimethylaniline?
The IUPAC name of 2-tert-butylsulfinyl-N,N-dimethylaniline (CID 86245441) is 2-tert-butylsulfinyl-N,N-dimethylaniline.
What is the SMILES notation for 2-tert-butylsulfinyl-N,N-dimethylaniline?
The canonical SMILES for 2-tert-butylsulfinyl-N,N-dimethylaniline is CN(C)c1ccccc1S(=O)C(C)(C)C.
What is the InChIKey of 2-tert-butylsulfinyl-N,N-dimethylaniline?
The InChIKey is LMBBIWWCWVHNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-12(2,3)15(14)11-9-7-6-8-10(11)13(4)5/h6-9H,1-5H3.
What are the key properties of 2-tert-butylsulfinyl-N,N-dimethylaniline?
2-tert-butylsulfinyl-N,N-dimethylaniline has a molecular weight of 225.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfinyl-N,N-dimethylaniline is sourced from PubChem (CID 86245441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).