2-ethoxy-N-(2-hydroxy-4-methylpentyl)ethanesulfonamide

C10H23NO4S — CID 103834355

IUPAC2-ethoxy-N-(2-hydroxy-4-methylpentyl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)NCC(O)CC(C)C
InChIInChI=1S/C10H23NO4S/c1-4-15-5-6-16(13,14)11-8-10(12)7-9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyDLLLPJQQPJTOIT-UHFFFAOYSA-N
MW253.36 g/mol
LogP0.35
Rot. Bonds9

About 2-ethoxy-N-(2-hydroxy-4-methylpentyl)ethanesulfonamide

2-ethoxy-N-(2-hydroxy-4-methylpentyl)ethanesulfonamide (PubChem CID 103834355) has the molecular formula C10H23NO4S and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-ethoxy-N-(2-hydroxy-4-methylpentyl)ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-hydroxy-4-methylpentyl)ethanesulfonamide
PubChem CID103834355
Molecular FormulaC10H23NO4S
Molecular Weight253.36 g/mol
Exact Mass253.13
IUPAC Name2-ethoxy-N-(2-hydroxy-4-methylpentyl)ethanesulfonamide
SMILESCCOCCS(=O)(=O)NCC(O)CC(C)C
InChIInChI=1S/C10H23NO4S/c1-4-15-5-6-16(13,14)11-8-10(12)7-9(2)3/h9-12H,4-8H2,1-3H3
InChIKeyDLLLPJQQPJTOIT-UHFFFAOYSA-N
XLogP0.35
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 ≤ 50.35
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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Related Compounds

N-(2-amino-3-hydroxybutyl)-2-ethoxyethanesulfonamide
CID 64539581
2-ethoxy-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]ethanesulfonamide
CID 97029637
N-(4-chloro-2-methylbutyl)-2-ethoxyethanesulfonamide
CID 66089953
2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide
CID 63246255
1-(3-ethoxypropylamino)-4-methylpentan-2-ol
CID 107152558
N-(1-bromo-4-methylpentan-2-yl)-2-ethoxyethanesulfonamide
CID 114297285
N-(2-hydroxy-4-methylpentyl)propane-2-sulfonamide
CID 103834354
2-(2-ethoxyethylsulfonylamino)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120651471
N-(4-bromo-2-ethylbutyl)-2-ethoxyethanesulfonamide
CID 114298827
N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride
CID 119976159
2-ethoxy-N-[3-(methylamino)propyl]ethanesulfonamide
CID 63245767
N-[2-(2-bromoethyl)pentyl]-2-ethoxyethanesulfonamide
CID 106118395

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-hydroxy-4-methylpentyl)ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-(2-hydroxy-4-methylpentyl)ethanesulfonamide (CID 103834355) is 2-ethoxy-N-(2-hydroxy-4-methylpentyl)ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-(2-hydroxy-4-methylpentyl)ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-(2-hydroxy-4-methylpentyl)ethanesulfonamide is CCOCCS(=O)(=O)NCC(O)CC(C)C.
What is the InChIKey of 2-ethoxy-N-(2-hydroxy-4-methylpentyl)ethanesulfonamide?
The InChIKey is DLLLPJQQPJTOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4S/c1-4-15-5-6-16(13,14)11-8-10(12)7-9(2)3/h9-12H,4-8H2,1-3H3.
What are the key properties of 2-ethoxy-N-(2-hydroxy-4-methylpentyl)ethanesulfonamide?
2-ethoxy-N-(2-hydroxy-4-methylpentyl)ethanesulfonamide has a molecular weight of 253.36 g/mol, XLogP of 0.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-hydroxy-4-methylpentyl)ethanesulfonamide is sourced from PubChem (CID 103834355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).