3-[3-(dimethylamino)-3-oxopropyl]sulfonylpropanoic acid

C8H15NO5S — CID 60961463

IUPAC3-[3-(dimethylamino)-3-oxopropyl]sulfonylpropanoic acid
SMILESCN(C)C(=O)CCS(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H15NO5S/c1-9(2)7(10)3-5-15(13,14)6-4-8(11)12/h3-6H2,1-2H3,(H,11,12)
InChIKeyYNVOTVCQLOFQAW-UHFFFAOYSA-N
MW237.28 g/mol
LogP-0.65
Rot. Bonds6

About 3-[3-(dimethylamino)-3-oxopropyl]sulfonylpropanoic acid

3-[3-(dimethylamino)-3-oxopropyl]sulfonylpropanoic acid (PubChem CID 60961463) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-3-oxopropyl]sulfonylpropanoic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)-3-oxopropyl]sulfonylpropanoic acid
PubChem CID60961463
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Name3-[3-(dimethylamino)-3-oxopropyl]sulfonylpropanoic acid
SMILESCN(C)C(=O)CCS(=O)(=O)CCC(=O)O
InChIInChI=1S/C8H15NO5S/c1-9(2)7(10)3-5-15(13,14)6-4-8(11)12/h3-6H2,1-2H3,(H,11,12)
InChIKeyYNVOTVCQLOFQAW-UHFFFAOYSA-N
XLogP-0.65
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(dimethylamino)-3-oxopropyl]sulfonylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-aminopropylsulfonyl)-N,N-dimethylpropanamide
CID 81189559
3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid
CID 43310948
5-(2-carboxyethylsulfonyl)pentanoic acid
CID 117098076
3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid
CID 43588558
3-(3-methylsulfonylpropylsulfonyl)propanoic acid
CID 63191877
3-hexacosylsulfonylpropanoic acid
CID 174440164
3-[2-[butyl(methyl)amino]-2-oxoethyl]sulfonylpropanoic acid
CID 82180523
3-dodecylsulfonylpropanoic acid;hydrochloride
CID 88774456
3-(dimethylaminosulfamoyl)propanoic acid
CID 83003807
dichloromethane;4-(dimethylamino)-4-oxobutanoic acid;N-methylmethanamine
CID 172740638
2-ethylsulfonyl-N,N-dimethylacetamide
CID 58102305
3-(2,2-difluoropropylsulfonyl)propanoic acid
CID 84681633

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-3-oxopropyl]sulfonylpropanoic acid?
The IUPAC name of 3-[3-(dimethylamino)-3-oxopropyl]sulfonylpropanoic acid (CID 60961463) is 3-[3-(dimethylamino)-3-oxopropyl]sulfonylpropanoic acid.
What is the SMILES notation for 3-[3-(dimethylamino)-3-oxopropyl]sulfonylpropanoic acid?
The canonical SMILES for 3-[3-(dimethylamino)-3-oxopropyl]sulfonylpropanoic acid is CN(C)C(=O)CCS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[3-(dimethylamino)-3-oxopropyl]sulfonylpropanoic acid?
The InChIKey is YNVOTVCQLOFQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-9(2)7(10)3-5-15(13,14)6-4-8(11)12/h3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-[3-(dimethylamino)-3-oxopropyl]sulfonylpropanoic acid?
3-[3-(dimethylamino)-3-oxopropyl]sulfonylpropanoic acid has a molecular weight of 237.28 g/mol, XLogP of -0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-3-oxopropyl]sulfonylpropanoic acid is sourced from PubChem (CID 60961463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).