N-ethyl-2-(2-hydroxyethylsulfonyl)propanamide

C7H15NO4S — CID 173454971

IUPACN-ethyl-2-(2-hydroxyethylsulfonyl)propanamide
SMILESCCNC(=O)C(C)S(=O)(=O)CCO
InChIInChI=1S/C7H15NO4S/c1-3-8-7(10)6(2)13(11,12)5-4-9/h6,9H,3-5H2,1-2H3,(H,8,10)
InChIKeyQCHGBWAKAJIQPZ-UHFFFAOYSA-N
MW209.27 g/mol
LogP-1.08
Rot. Bonds5

About N-ethyl-2-(2-hydroxyethylsulfonyl)propanamide

N-ethyl-2-(2-hydroxyethylsulfonyl)propanamide (PubChem CID 173454971) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is N-ethyl-2-(2-hydroxyethylsulfonyl)propanamide.

Molecular Properties

Compound NameN-ethyl-2-(2-hydroxyethylsulfonyl)propanamide
PubChem CID173454971
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC NameN-ethyl-2-(2-hydroxyethylsulfonyl)propanamide
SMILESCCNC(=O)C(C)S(=O)(=O)CCO
InChIInChI=1S/C7H15NO4S/c1-3-8-7(10)6(2)13(11,12)5-4-9/h6,9H,3-5H2,1-2H3,(H,8,10)
InChIKeyQCHGBWAKAJIQPZ-UHFFFAOYSA-N
XLogP-1.08
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-hydroxyethylsulfonyl)propanamide?
The IUPAC name of N-ethyl-2-(2-hydroxyethylsulfonyl)propanamide (CID 173454971) is N-ethyl-2-(2-hydroxyethylsulfonyl)propanamide.
What is the SMILES notation for N-ethyl-2-(2-hydroxyethylsulfonyl)propanamide?
The canonical SMILES for N-ethyl-2-(2-hydroxyethylsulfonyl)propanamide is CCNC(=O)C(C)S(=O)(=O)CCO.
What is the InChIKey of N-ethyl-2-(2-hydroxyethylsulfonyl)propanamide?
The InChIKey is QCHGBWAKAJIQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-3-8-7(10)6(2)13(11,12)5-4-9/h6,9H,3-5H2,1-2H3,(H,8,10).
What are the key properties of N-ethyl-2-(2-hydroxyethylsulfonyl)propanamide?
N-ethyl-2-(2-hydroxyethylsulfonyl)propanamide has a molecular weight of 209.27 g/mol, XLogP of -1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-hydroxyethylsulfonyl)propanamide is sourced from PubChem (CID 173454971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).