2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide

C10H23NO4S — CID 106169682

IUPAC2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)NC(C)(CC)CCO
InChIInChI=1S/C10H23NO4S/c1-4-10(3,6-7-12)11-16(13,14)9-8-15-5-2/h11-12H,4-9H2,1-3H3
InChIKeyLCBYRZFHMZJBBD-UHFFFAOYSA-N
MW253.36 g/mol
LogP0.49
Rot. Bonds9

About 2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide

2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide (PubChem CID 106169682) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide
PubChem CID106169682
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC Name2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)NC(C)(CC)CCO
InChIInChI=1S/C10H23NO4S/c1-4-10(3,6-7-12)11-16(13,14)9-8-15-5-2/h11-12H,4-9H2,1-3H3
InChIKeyLCBYRZFHMZJBBD-UHFFFAOYSA-N
XLogP0.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)-2-propan-2-yloxyethanesulfonamide
CID 106169938
methyl 3-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]propanoate
CID 106169758
N-(1-amino-2-methylpropan-2-yl)-2-ethoxyethanesulfonamide
CID 63246035
3-methyl-3-(propylsulfamoylamino)pentan-1-ol
CID 106169596
ethyl 3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]propanoate
CID 64557036
N-(1-hydroxy-2-methylbutan-2-yl)ethanesulfonamide
CID 64555453
4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoylmethyl]benzoic acid
CID 106168479
N-(5-chloro-2,2-dimethylpentyl)-2-ethoxyethanesulfonamide
CID 106146162
N-(1-bromo-2-methylbutan-2-yl)-3-methoxypropane-1-sulfonamide
CID 114293791
5-chloro-N-(1-hydroxy-3-methylpentan-3-yl)thiophene-2-sulfonamide
CID 114153362
2-ethoxyethanol;sulfuric acid
CID 87749123
N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide
CID 62521960

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide (CID 106169682) is 2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide is CCOCCS(=O)(=O)NC(C)(CC)CCO.
What is the InChIKey of 2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide?
The InChIKey is LCBYRZFHMZJBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4S/c1-4-10(3,6-7-12)11-16(13,14)9-8-15-5-2/h11-12H,4-9H2,1-3H3.
What are the key properties of 2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide?
2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide has a molecular weight of 253.36 g/mol, XLogP of 0.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1-hydroxy-3-methylpentan-3-yl)ethanesulfonamide is sourced from PubChem (CID 106169682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).