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

C8H16N2O5S — CID 66435370

IUPAC2-[4-(dimethylsulfamoyl)morpholin-2-yl]acetic acid
SMILESCN(C)S(=O)(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C8H16N2O5S/c1-9(2)16(13,14)10-3-4-15-7(6-10)5-8(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeySSEHMOONZMZDLS-UHFFFAOYSA-N
MW252.29 g/mol
LogP-1.03
Rot. Bonds4

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

2-[4-(dimethylsulfamoyl)morpholin-2-yl]acetic acid (PubChem CID 66435370) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)morpholin-2-yl]acetic acid
PubChem CID66435370
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Name2-[4-(dimethylsulfamoyl)morpholin-2-yl]acetic acid
SMILESCN(C)S(=O)(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C8H16N2O5S/c1-9(2)16(13,14)10-3-4-15-7(6-10)5-8(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeySSEHMOONZMZDLS-UHFFFAOYSA-N
XLogP-1.03
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-ethyl-N,N-dimethylmorpholine-4-sulfonamide
CID 95154399
methyl 2-[4-(dipropylsulfamoyl)morpholin-2-yl]acetate
CID 79765314
(2R)-2-(2,2-diphenylethyl)-N,N-dimethylmorpholine-4-sulfonamide
CID 26412398
2-[4-(1-cyanopropylsulfonyl)morpholin-2-yl]acetic acid
CID 66433232
2-[4-(ethoxycarbonylsulfamoyl)morpholin-2-yl]acetic acid
CID 114462839
2-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]acetic acid
CID 83067807
2-[4-(5-bromo-2-methylphenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433224
4-(dimethylsulfamoyl)morpholine-2-carbothioamide
CID 79674162
2-[4-(3,4-difluorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433225
2-(4-cyclohexylmorpholin-2-yl)acetic acid
CID 66433671
2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid
CID 66434056
2-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]morpholin-2-yl]acetic acid
CID 66434691

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(dimethylsulfamoyl)morpholin-2-yl]acetic acid (CID 66435370) is 2-[4-(dimethylsulfamoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)morpholin-2-yl]acetic acid is CN(C)S(=O)(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)morpholin-2-yl]acetic acid?
The InChIKey is SSEHMOONZMZDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5S/c1-9(2)16(13,14)10-3-4-15-7(6-10)5-8(11)12/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-[4-(dimethylsulfamoyl)morpholin-2-yl]acetic acid?
2-[4-(dimethylsulfamoyl)morpholin-2-yl]acetic acid has a molecular weight of 252.29 g/mol, XLogP of -1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66435370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).