N-[2-(2-hydroxyethoxy)ethyl]-2-methylpropane-2-sulfonamide

C8H19NO4S — CID 63689546

IUPACN-[2-(2-hydroxyethoxy)ethyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCOCCO
InChIInChI=1S/C8H19NO4S/c1-8(2,3)14(11,12)9-4-6-13-7-5-10/h9-10H,4-7H2,1-3H3
InChIKeySXCSKGOORKYTQI-UHFFFAOYSA-N
MW225.31 g/mol
LogP-0.29
Rot. Bonds6

About N-[2-(2-hydroxyethoxy)ethyl]-2-methylpropane-2-sulfonamide

N-[2-(2-hydroxyethoxy)ethyl]-2-methylpropane-2-sulfonamide (PubChem CID 63689546) has the molecular formula C8H19NO4S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-2-methylpropane-2-sulfonamide
PubChem CID63689546
Molecular FormulaC8H19NO4S
Molecular Weight225.31 g/mol
Exact Mass225.10
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCOCCO
InChIInChI=1S/C8H19NO4S/c1-8(2,3)14(11,12)9-4-6-13-7-5-10/h9-10H,4-7H2,1-3H3
InChIKeySXCSKGOORKYTQI-UHFFFAOYSA-N
XLogP-0.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-2-methylpropane-2-sulfonamide (CID 63689546) is N-[2-(2-hydroxyethoxy)ethyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCCOCCO.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-2-methylpropane-2-sulfonamide?
The InChIKey is SXCSKGOORKYTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4S/c1-8(2,3)14(11,12)9-4-6-13-7-5-10/h9-10H,4-7H2,1-3H3.
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-2-methylpropane-2-sulfonamide?
N-[2-(2-hydroxyethoxy)ethyl]-2-methylpropane-2-sulfonamide has a molecular weight of 225.31 g/mol, XLogP of -0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 63689546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).