N-(2-amino-3-hydroxybutyl)-2-ethoxyethanesulfonamide

C8H20N2O4S — CID 64539581

IUPACN-(2-amino-3-hydroxybutyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NCC(N)C(C)O
InChIInChI=1S/C8H20N2O4S/c1-3-14-4-5-15(12,13)10-6-8(9)7(2)11/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyFJYDMZZMRMUZJF-UHFFFAOYSA-N
MW240.32 g/mol
LogP-1.35
Rot. Bonds8

About N-(2-amino-3-hydroxybutyl)-2-ethoxyethanesulfonamide

N-(2-amino-3-hydroxybutyl)-2-ethoxyethanesulfonamide (PubChem CID 64539581) has the molecular formula C8H20N2O4S and a molecular weight of 240.32 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-2-ethoxyethanesulfonamide
PubChem CID64539581
Molecular FormulaC8H20N2O4S
Molecular Weight240.32 g/mol
Exact Mass240.11
IUPAC NameN-(2-amino-3-hydroxybutyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NCC(N)C(C)O
InChIInChI=1S/C8H20N2O4S/c1-3-14-4-5-15(12,13)10-6-8(9)7(2)11/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyFJYDMZZMRMUZJF-UHFFFAOYSA-N
XLogP-1.35
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(2-hydroxy-4-methylpentyl)ethanesulfonamide
CID 103834355
4-[(2-amino-3-hydroxybutyl)sulfamoyl]butanoic acid
CID 64541919
N-(4-chloro-2-methylbutyl)-2-ethoxyethanesulfonamide
CID 66089953
N-(2-amino-2-phenylethyl)-2-ethoxyethanesulfonamide;hydrochloride
CID 119976159
2-ethoxy-N-[2-(propan-2-ylamino)ethyl]ethanesulfonamide
CID 63246255
2-(2-ethoxyethylsulfonylamino)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120651471
N-(4-bromo-2-ethylbutyl)-2-ethoxyethanesulfonamide
CID 114298827
2-ethoxy-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]ethanesulfonamide
CID 97029637
2-amino-1-(diethylsulfamoylamino)-3-hydroxybutane
CID 64539372
N-[2-(2-bromoethyl)pentyl]-2-ethoxyethanesulfonamide
CID 106118395
N-butan-2-yl-2-ethoxyethanesulfonamide
CID 62732367
2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]propanoic acid
CID 119349059

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-2-ethoxyethanesulfonamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-2-ethoxyethanesulfonamide (CID 64539581) is N-(2-amino-3-hydroxybutyl)-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)NCC(N)C(C)O.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-2-ethoxyethanesulfonamide?
The InChIKey is FJYDMZZMRMUZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O4S/c1-3-14-4-5-15(12,13)10-6-8(9)7(2)11/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of N-(2-amino-3-hydroxybutyl)-2-ethoxyethanesulfonamide?
N-(2-amino-3-hydroxybutyl)-2-ethoxyethanesulfonamide has a molecular weight of 240.32 g/mol, XLogP of -1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-2-ethoxyethanesulfonamide is sourced from PubChem (CID 64539581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).