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

C10H21NO2S — CID 146579698

IUPACN-[2-(2,2-dimethylpropylsulfinyl)ethyl]propanamide
SMILESCCC(=O)NCCS(=O)CC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-5-9(12)11-6-7-14(13)8-10(2,3)4/h5-8H2,1-4H3,(H,11,12)
InChIKeyZKJXKTOUSXLZRA-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.31
Rot. Bonds5

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

N-[2-(2,2-dimethylpropylsulfinyl)ethyl]propanamide (PubChem CID 146579698) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropylsulfinyl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropylsulfinyl)ethyl]propanamide
PubChem CID146579698
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-[2-(2,2-dimethylpropylsulfinyl)ethyl]propanamide
SMILESCCC(=O)NCCS(=O)CC(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-5-9(12)11-6-7-14(13)8-10(2,3)4/h5-8H2,1-4H3,(H,11,12)
InChIKeyZKJXKTOUSXLZRA-UHFFFAOYSA-N
XLogP1.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.31
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]propanamide?
The IUPAC name of N-[2-(2,2-dimethylpropylsulfinyl)ethyl]propanamide (CID 146579698) is N-[2-(2,2-dimethylpropylsulfinyl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropylsulfinyl)ethyl]propanamide?
The canonical SMILES for N-[2-(2,2-dimethylpropylsulfinyl)ethyl]propanamide is CCC(=O)NCCS(=O)CC(C)(C)C.
What is the InChIKey of N-[2-(2,2-dimethylpropylsulfinyl)ethyl]propanamide?
The InChIKey is ZKJXKTOUSXLZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-9(12)11-6-7-14(13)8-10(2,3)4/h5-8H2,1-4H3,(H,11,12).
What are the key properties of N-[2-(2,2-dimethylpropylsulfinyl)ethyl]propanamide?
N-[2-(2,2-dimethylpropylsulfinyl)ethyl]propanamide has a molecular weight of 219.35 g/mol, XLogP of 1.31, 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]propanamide is sourced from PubChem (CID 146579698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).