2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid

C9H17N3O6S — CID 66434839

IUPAC2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid
SMILESNS(=O)(=O)CCNC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C9H17N3O6S/c10-19(16,17)4-1-11-9(15)12-2-3-18-7(6-12)5-8(13)14/h7H,1-6H2,(H,11,15)(H,13,14)(H2,10,16,17)
InChIKeyJHHIVJMLHYXCQI-UHFFFAOYSA-N
MW295.32 g/mol
LogP-1.84
Rot. Bonds5

About 2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid

2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid (PubChem CID 66434839) has the molecular formula C9H17N3O6S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid
PubChem CID66434839
Molecular FormulaC9H17N3O6S
Molecular Weight295.32 g/mol
Exact Mass295.08
IUPAC Name2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid
SMILESNS(=O)(=O)CCNC(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C9H17N3O6S/c10-19(16,17)4-1-11-9(15)12-2-3-18-7(6-12)5-8(13)14/h7H,1-6H2,(H,11,15)(H,13,14)(H2,10,16,17)
InChIKeyJHHIVJMLHYXCQI-UHFFFAOYSA-N
XLogP-1.84
TPSA139.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(methanesulfonamido)propylcarbamoyl]morpholin-2-yl]acetic acid
CID 106340298
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66436055
2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66435659
2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid
CID 66435216
2-[4-[[2-oxo-2-(propylamino)ethyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66433095
2-[4-(2-prop-2-ynylsulfanylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 114187992
2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid
CID 66434515
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617
2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 106105976
2-[4-[(2-methylcyclopropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435660
2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433295

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid (CID 66434839) is 2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid is NS(=O)(=O)CCNC(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid?
The InChIKey is JHHIVJMLHYXCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O6S/c10-19(16,17)4-1-11-9(15)12-2-3-18-7(6-12)5-8(13)14/h7H,1-6H2,(H,11,15)(H,13,14)(H2,10,16,17).
What are the key properties of 2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid?
2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid has a molecular weight of 295.32 g/mol, XLogP of -1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).