N-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide

C8H20N2O4S — CID 104594111

IUPACN-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCCNCC(C)O
InChIInChI=1S/C8H20N2O4S/c1-8(11)7-9-3-4-10-15(12,13)6-5-14-2/h8-11H,3-7H2,1-2H3
InChIKeyRNWLHORFOOEPJY-UHFFFAOYSA-N
MW240.32 g/mol
LogP-1.48
Rot. Bonds9

About N-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide

N-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide (PubChem CID 104594111) has the molecular formula C8H20N2O4S and a molecular weight of 240.32 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide
PubChem CID104594111
Molecular FormulaC8H20N2O4S
Molecular Weight240.32 g/mol
Exact Mass240.11
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NCCNCC(C)O
InChIInChI=1S/C8H20N2O4S/c1-8(11)7-9-3-4-10-15(12,13)6-5-14-2/h8-11H,3-7H2,1-2H3
InChIKeyRNWLHORFOOEPJY-UHFFFAOYSA-N
XLogP-1.48
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 5-1.48
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-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane
CID 114959448
4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid
CID 80540283
2-methoxy-N-(2-methoxypropyl)ethanesulfonamide
CID 102697513
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 83029580
N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide
CID 76953299
N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide
CID 62666694
2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide
CID 115302783
2-(ethylsulfonylamino)-N-[2-(2-methoxyethylamino)ethyl]ethanesulfonamide
CID 120717495
N-(5-hydroxypentyl)-2-methoxyethanesulfonamide
CID 107319418
1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol
CID 114811352
N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide
CID 106158927

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide (CID 104594111) is N-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide is COCCS(=O)(=O)NCCNCC(C)O.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide?
The InChIKey is RNWLHORFOOEPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O4S/c1-8(11)7-9-3-4-10-15(12,13)6-5-14-2/h8-11H,3-7H2,1-2H3.
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide?
N-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide has a molecular weight of 240.32 g/mol, XLogP of -1.48, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide is sourced from PubChem (CID 104594111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).