ethane;N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide;molecular hydrogen

C9H23NO4S — CID 156791270

IUPACethane;N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide;molecular hydrogen
SMILESCC.CCC(=O)NCCS(=O)(=O)CCO.[H][H]
InChIInChI=1S/C7H15NO4S.C2H6.H2/c1-2-7(10)8-3-5-13(11,12)6-4-9;1-2;/h9H,2-6H2,1H3,(H,8,10);1-2H3;1H
InChIKeyXLIJCADLMNCKJF-UHFFFAOYSA-N
MW241.35 g/mol
LogP0.19
Rot. Bonds6

About ethane;N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide;molecular hydrogen

ethane;N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide;molecular hydrogen (PubChem CID 156791270) has the molecular formula C9H23NO4S and a molecular weight of 241.35 g/mol. Its IUPAC name is ethane;N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide;molecular hydrogen
PubChem CID156791270
Molecular FormulaC9H23NO4S
Molecular Weight241.35 g/mol
Exact Mass241.13
IUPAC Nameethane;N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide;molecular hydrogen
SMILESCC.CCC(=O)NCCS(=O)(=O)CCO.[H][H]
InChIInChI=1S/C7H15NO4S.C2H6.H2/c1-2-7(10)8-3-5-13(11,12)6-4-9;1-2;/h9H,2-6H2,1H3,(H,8,10);1-2H3;1H
InChIKeyXLIJCADLMNCKJF-UHFFFAOYSA-N
XLogP0.19
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide;molecular hydrogen?
The IUPAC name of ethane;N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide;molecular hydrogen (CID 156791270) is ethane;N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide;molecular hydrogen?
The canonical SMILES for ethane;N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide;molecular hydrogen is CC.CCC(=O)NCCS(=O)(=O)CCO.[H][H].
What is the InChIKey of ethane;N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide;molecular hydrogen?
The InChIKey is XLIJCADLMNCKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S.C2H6.H2/c1-2-7(10)8-3-5-13(11,12)6-4-9;1-2;/h9H,2-6H2,1H3,(H,8,10);1-2H3;1H.
What are the key properties of ethane;N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide;molecular hydrogen?
ethane;N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide;molecular hydrogen has a molecular weight of 241.35 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(2-hydroxyethylsulfonyl)ethyl]propanamide;molecular hydrogen is sourced from PubChem (CID 156791270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).