3-(2-ethylsulfonylethylamino)-2-hydroxypropanamide

C7H16N2O4S — CID 106174934

IUPAC3-(2-ethylsulfonylethylamino)-2-hydroxypropanamide
SMILESCCS(=O)(=O)CCNCC(O)C(N)=O
InChIInChI=1S/C7H16N2O4S/c1-2-14(12,13)4-3-9-5-6(10)7(8)11/h6,9-10H,2-5H2,1H3,(H2,8,11)
InChIKeyVHTQWFGZFGUGOP-UHFFFAOYSA-N
MW224.28 g/mol
LogP-2.14
Rot. Bonds7

About 3-(2-ethylsulfonylethylamino)-2-hydroxypropanamide

3-(2-ethylsulfonylethylamino)-2-hydroxypropanamide (PubChem CID 106174934) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-(2-ethylsulfonylethylamino)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-(2-ethylsulfonylethylamino)-2-hydroxypropanamide
PubChem CID106174934
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name3-(2-ethylsulfonylethylamino)-2-hydroxypropanamide
SMILESCCS(=O)(=O)CCNCC(O)C(N)=O
InChIInChI=1S/C7H16N2O4S/c1-2-14(12,13)4-3-9-5-6(10)7(8)11/h6,9-10H,2-5H2,1H3,(H2,8,11)
InChIKeyVHTQWFGZFGUGOP-UHFFFAOYSA-N
XLogP-2.14
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-2.14
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-3-(2-methoxyethylamino)propanamide
CID 106174482
2-hydroxy-3-[[(2R)-2-hydroxypropyl]amino]propanamide
CID 106174936
2-hydroxy-3-(methylsulfamoylamino)propanamide
CID 106169457
2-(2-ethylsulfonylethylamino)ethanol
CID 43807737
2-amino-3-(2-methylsulfonylethylamino)propanamide
CID 103240264
3-(2,2-diethoxyethylamino)-2-hydroxypropanamide
CID 106174370
3-(2,2-dimethoxyethylamino)-2-hydroxypropanamide
CID 106170441
2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide
CID 107258283
3-[(3-ethoxy-2-hydroxypropyl)amino]-2-hydroxypropanamide
CID 106174560
3-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-2-hydroxypropanamide
CID 106174842
2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine
CID 115663153
1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol
CID 103710489

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfonylethylamino)-2-hydroxypropanamide?
The IUPAC name of 3-(2-ethylsulfonylethylamino)-2-hydroxypropanamide (CID 106174934) is 3-(2-ethylsulfonylethylamino)-2-hydroxypropanamide.
What is the SMILES notation for 3-(2-ethylsulfonylethylamino)-2-hydroxypropanamide?
The canonical SMILES for 3-(2-ethylsulfonylethylamino)-2-hydroxypropanamide is CCS(=O)(=O)CCNCC(O)C(N)=O.
What is the InChIKey of 3-(2-ethylsulfonylethylamino)-2-hydroxypropanamide?
The InChIKey is VHTQWFGZFGUGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-2-14(12,13)4-3-9-5-6(10)7(8)11/h6,9-10H,2-5H2,1H3,(H2,8,11).
What are the key properties of 3-(2-ethylsulfonylethylamino)-2-hydroxypropanamide?
3-(2-ethylsulfonylethylamino)-2-hydroxypropanamide has a molecular weight of 224.28 g/mol, XLogP of -2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfonylethylamino)-2-hydroxypropanamide is sourced from PubChem (CID 106174934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).