N-[2-(2,2-dimethylpropylsulfinyl)ethyl]-2-methylpropanamide

C11H23NO2S — CID 135225050

IUPACN-[2-(2,2-dimethylpropylsulfinyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCS(=O)CC(C)(C)C
InChIInChI=1S/C11H23NO2S/c1-9(2)10(13)12-6-7-15(14)8-11(3,4)5/h9H,6-8H2,1-5H3,(H,12,13)
InChIKeyMGSACTNLJQTJHF-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.55
Rot. Bonds5

About N-[2-(2,2-dimethylpropylsulfinyl)ethyl]-2-methylpropanamide

N-[2-(2,2-dimethylpropylsulfinyl)ethyl]-2-methylpropanamide (PubChem CID 135225050) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropylsulfinyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropylsulfinyl)ethyl]-2-methylpropanamide
PubChem CID135225050
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-[2-(2,2-dimethylpropylsulfinyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCS(=O)CC(C)(C)C
InChIInChI=1S/C11H23NO2S/c1-9(2)10(13)12-6-7-15(14)8-11(3,4)5/h9H,6-8H2,1-5H3,(H,12,13)
InChIKeyMGSACTNLJQTJHF-UHFFFAOYSA-N
XLogP1.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropylsulfinyl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(2,2-dimethylpropylsulfinyl)ethyl]-2-methylpropanamide (CID 135225050) is N-[2-(2,2-dimethylpropylsulfinyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropylsulfinyl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(2,2-dimethylpropylsulfinyl)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCS(=O)CC(C)(C)C.
What is the InChIKey of N-[2-(2,2-dimethylpropylsulfinyl)ethyl]-2-methylpropanamide?
The InChIKey is MGSACTNLJQTJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-9(2)10(13)12-6-7-15(14)8-11(3,4)5/h9H,6-8H2,1-5H3,(H,12,13).
What are the key properties of N-[2-(2,2-dimethylpropylsulfinyl)ethyl]-2-methylpropanamide?
N-[2-(2,2-dimethylpropylsulfinyl)ethyl]-2-methylpropanamide has a molecular weight of 233.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropylsulfinyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 135225050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).