N-ethyl-N-(2-hydroxyethyl)butane-1-sulfonamide

C8H19NO3S — CID 39242554

IUPACN-ethyl-N-(2-hydroxyethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CC)CCO
InChIInChI=1S/C8H19NO3S/c1-3-5-8-13(11,12)9(4-2)6-7-10/h10H,3-8H2,1-2H3
InChIKeyVGZLVJNNLWQWGV-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.43
Rot. Bonds7

About N-ethyl-N-(2-hydroxyethyl)butane-1-sulfonamide

N-ethyl-N-(2-hydroxyethyl)butane-1-sulfonamide (PubChem CID 39242554) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)butane-1-sulfonamide
PubChem CID39242554
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-ethyl-N-(2-hydroxyethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CC)CCO
InChIInChI=1S/C8H19NO3S/c1-3-5-8-13(11,12)9(4-2)6-7-10/h10H,3-8H2,1-2H3
InChIKeyVGZLVJNNLWQWGV-UHFFFAOYSA-N
XLogP0.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)butane-1-sulfonamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)butane-1-sulfonamide (CID 39242554) is N-ethyl-N-(2-hydroxyethyl)butane-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)butane-1-sulfonamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)butane-1-sulfonamide is CCCCS(=O)(=O)N(CC)CCO.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)butane-1-sulfonamide?
The InChIKey is VGZLVJNNLWQWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-3-5-8-13(11,12)9(4-2)6-7-10/h10H,3-8H2,1-2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)butane-1-sulfonamide?
N-ethyl-N-(2-hydroxyethyl)butane-1-sulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)butane-1-sulfonamide is sourced from PubChem (CID 39242554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).