3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid

C10H20N2O5S — CID 114399530

IUPAC3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid
SMILESCCN1CCOC(CNS(=O)(=O)CCC(=O)O)C1
InChIInChI=1S/C10H20N2O5S/c1-2-12-4-5-17-9(8-12)7-11-18(15,16)6-3-10(13)14/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyPNSIZRJCTGAZGY-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.90
Rot. Bonds7

About 3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid

3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid (PubChem CID 114399530) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid
PubChem CID114399530
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid
SMILESCCN1CCOC(CNS(=O)(=O)CCC(=O)O)C1
InChIInChI=1S/C10H20N2O5S/c1-2-12-4-5-17-9(8-12)7-11-18(15,16)6-3-10(13)14/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyPNSIZRJCTGAZGY-UHFFFAOYSA-N
XLogP-0.90
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(4-ethylmorpholin-2-yl)methyl]ethanesulfonamide
CID 114399731
3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid
CID 114399539
3-(ethylamino)-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide
CID 106085709
3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
CID 95426355
3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid
CID 114400933
5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 114400913
3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid
CID 114399804
N-[(4-ethylmorpholin-2-yl)methyl]piperazine-1-sulfonamide
CID 114400447
N-[(4-ethylmorpholin-2-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 114400701
1-cyano-N-[(4-ethylmorpholin-2-yl)methyl]propane-1-sulfonamide
CID 115766883
N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115919948
N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide
CID 110710241

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid?
The IUPAC name of 3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid (CID 114399530) is 3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid is CCN1CCOC(CNS(=O)(=O)CCC(=O)O)C1.
What is the InChIKey of 3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid?
The InChIKey is PNSIZRJCTGAZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-2-12-4-5-17-9(8-12)7-11-18(15,16)6-3-10(13)14/h9,11H,2-8H2,1H3,(H,13,14).
What are the key properties of 3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid?
3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid has a molecular weight of 280.35 g/mol, XLogP of -0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid is sourced from PubChem (CID 114399530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).