N-ethyl-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide

C8H19NO3S — CID 79386711

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)CC
InChIInChI=1S/C8H19NO3S/c1-5-9(7-8(3,4)10)13(11,12)6-2/h10H,5-7H2,1-4H3
InChIKeyYVIJSJPANBYENR-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.43
Rot. Bonds5

About N-ethyl-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide (PubChem CID 79386711) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide
PubChem CID79386711
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide
SMILESCCN(CC(C)(C)O)S(=O)(=O)CC
InChIInChI=1S/C8H19NO3S/c1-5-9(7-8(3,4)10)13(11,12)6-2/h10H,5-7H2,1-4H3
InChIKeyYVIJSJPANBYENR-UHFFFAOYSA-N
XLogP0.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-hydroxy-2-methylpropyl)ethanesulfonamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide (CID 79386711) is N-ethyl-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide is CCN(CC(C)(C)O)S(=O)(=O)CC.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide?
The InChIKey is YVIJSJPANBYENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-5-9(7-8(3,4)10)13(11,12)6-2/h10H,5-7H2,1-4H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide is sourced from PubChem (CID 79386711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).