N-(2-ethoxyethyl)-1-hydroxy-N-methylpropane-2-sulfonamide

C8H19NO4S — CID 81074102

IUPACN-(2-ethoxyethyl)-1-hydroxy-N-methylpropane-2-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)C(C)CO
InChIInChI=1S/C8H19NO4S/c1-4-13-6-5-9(3)14(11,12)8(2)7-10/h8,10H,4-7H2,1-3H3
InChIKeyXLZPUICQZVTZJF-UHFFFAOYSA-N
MW225.31 g/mol
LogP-0.33
Rot. Bonds7

About N-(2-ethoxyethyl)-1-hydroxy-N-methylpropane-2-sulfonamide

N-(2-ethoxyethyl)-1-hydroxy-N-methylpropane-2-sulfonamide (PubChem CID 81074102) has the molecular formula C8H19NO4S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1-hydroxy-N-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1-hydroxy-N-methylpropane-2-sulfonamide
PubChem CID81074102
Molecular FormulaC8H19NO4S
Molecular Weight225.31 g/mol
Exact Mass225.10
IUPAC NameN-(2-ethoxyethyl)-1-hydroxy-N-methylpropane-2-sulfonamide
SMILESCCOCCN(C)S(=O)(=O)C(C)CO
InChIInChI=1S/C8H19NO4S/c1-4-13-6-5-9(3)14(11,12)8(2)7-10/h8,10H,4-7H2,1-3H3
InChIKeyXLZPUICQZVTZJF-UHFFFAOYSA-N
XLogP-0.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N,N-bis(2-ethoxyethyl)propane-2-sulfonamide
CID 82953278
N,N-bis(2-ethoxyethyl)-1-(methylamino)propane-2-sulfonamide
CID 82953041
N-(2-ethoxyethyl)-N-propan-2-ylpropan-2-amine
CID 575118
2-[bis(2-ethoxyethyl)sulfamoyl]propanethioamide
CID 82965583
1-chloro-N-methyl-N-(2-propan-2-yloxyethyl)propane-2-sulfonamide
CID 81063266
3-amino-2-[2-ethoxyethyl(ethyl)amino]butan-1-ol
CID 64897671
N-(2-ethoxyethyl)-N,2-dimethylpropanamide
CID 11423854
N,N-bis(2-ethoxyethyl)ethanesulfonamide
CID 82952267
3-[2-ethoxyethyl(methyl)amino]butan-2-one
CID 81057001
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
CID 61355207
3-[bis(2-ethoxyethyl)sulfamoyl-methylamino]propanoic acid
CID 82960749
1-(2-ethoxyethoxy)propane-2-sulfonic acid
CID 150975987

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-1-hydroxy-N-methylpropane-2-sulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-1-hydroxy-N-methylpropane-2-sulfonamide (CID 81074102) is N-(2-ethoxyethyl)-1-hydroxy-N-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-1-hydroxy-N-methylpropane-2-sulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-1-hydroxy-N-methylpropane-2-sulfonamide is CCOCCN(C)S(=O)(=O)C(C)CO.
What is the InChIKey of N-(2-ethoxyethyl)-1-hydroxy-N-methylpropane-2-sulfonamide?
The InChIKey is XLZPUICQZVTZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4S/c1-4-13-6-5-9(3)14(11,12)8(2)7-10/h8,10H,4-7H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-1-hydroxy-N-methylpropane-2-sulfonamide?
N-(2-ethoxyethyl)-1-hydroxy-N-methylpropane-2-sulfonamide has a molecular weight of 225.31 g/mol, XLogP of -0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1-hydroxy-N-methylpropane-2-sulfonamide is sourced from PubChem (CID 81074102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).