2-ethoxy-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]ethanesulfonamide

C11H24N2O5S — CID 97029637

IUPAC2-ethoxy-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]ethanesulfonamide
SMILESCCOCCS(=O)(=O)NC[C@@H](O)CN1CCOCC1
InChIInChI=1S/C11H24N2O5S/c1-2-17-7-8-19(15,16)12-9-11(14)10-13-3-5-18-6-4-13/h11-12,14H,2-10H2,1H3/t11-/m1/s1
InChIKeyBQVWOSBFFHRSIY-LLVKDONJSA-N
MW296.39 g/mol
LogP-1.36
Rot. Bonds9

About 2-ethoxy-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]ethanesulfonamide

2-ethoxy-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]ethanesulfonamide (PubChem CID 97029637) has the molecular formula C11H24N2O5S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-ethoxy-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]ethanesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]ethanesulfonamide
PubChem CID97029637
Molecular FormulaC11H24N2O5S
Molecular Weight296.39 g/mol
Exact Mass296.14
IUPAC Name2-ethoxy-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]ethanesulfonamide
SMILESCCOCCS(=O)(=O)NC[C@@H](O)CN1CCOCC1
InChIInChI=1S/C11H24N2O5S/c1-2-17-7-8-19(15,16)12-9-11(14)10-13-3-5-18-6-4-13/h11-12,14H,2-10H2,1H3/t11-/m1/s1
InChIKeyBQVWOSBFFHRSIY-LLVKDONJSA-N
XLogP-1.36
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-3-morpholin-4-ium-4-ylpropyl)-N-methylsulfamate;hydrobromide
CID 16682536
2-(((2R,6S)-2,6-dimethylmorpholin-4-yl)sulfonyl)ethan-1-ol
CID 104959533
(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropane-1-sulfonate
CID 1800415
3-[3-(Fluorosulfonylamino)propyl-dimethylazaniumyl]-2-hydroxypropane-1-sulfonate
CID 140799727
2-Hydroxy-3-morpholin-4-ium-4-ylpropane-1-sulfonate
CID 78246223
(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropane-1-sulfonate
CID 1800417
[6-Methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanamine
CID 102938509
N-(2-hydroxy-3-morpholin-4-ium-4-ylpropyl)-N-methylsulfamate bromide
CID 53351073
N-(2-hydroxyethyl)-N-methyl-3-morpholin-4-ylpropane-1-sulfonamide
CID 22030874
(4-Ethylsulfonylmorpholin-2-yl)methanamine
CID 24262618
[(2S)-4-ethylsulfonylmorpholin-2-yl]methanamine
CID 42252747
[(2R)-4-ethylsulfonylmorpholin-2-yl]methanamine
CID 42252751

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]ethanesulfonamide?
The IUPAC name of 2-ethoxy-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]ethanesulfonamide (CID 97029637) is 2-ethoxy-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]ethanesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]ethanesulfonamide?
The canonical SMILES for 2-ethoxy-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]ethanesulfonamide is CCOCCS(=O)(=O)NC[C@@H](O)CN1CCOCC1.
What is the InChIKey of 2-ethoxy-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]ethanesulfonamide?
The InChIKey is BQVWOSBFFHRSIY-LLVKDONJSA-N. The full InChI is InChI=1S/C11H24N2O5S/c1-2-17-7-8-19(15,16)12-9-11(14)10-13-3-5-18-6-4-13/h11-12,14H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of 2-ethoxy-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]ethanesulfonamide?
2-ethoxy-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]ethanesulfonamide has a molecular weight of 296.39 g/mol, XLogP of -1.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]ethanesulfonamide is sourced from PubChem (CID 97029637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).