3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid

C9H18N2O5S — CID 43588558

IUPAC3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid
SMILESCCN(CC(=O)N(C)C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H18N2O5S/c1-4-11(7-8(12)10(2)3)17(15,16)6-5-9(13)14/h4-7H2,1-3H3,(H,13,14)
InChIKeyMHSMVMZCRZMDKJ-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.80
Rot. Bonds7

About 3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid

3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid (PubChem CID 43588558) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid
PubChem CID43588558
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid
SMILESCCN(CC(=O)N(C)C)S(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H18N2O5S/c1-4-11(7-8(12)10(2)3)17(15,16)6-5-9(13)14/h4-7H2,1-3H3,(H,13,14)
InChIKeyMHSMVMZCRZMDKJ-UHFFFAOYSA-N
XLogP-0.80
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(propylsulfonyl)amino]-N,N-dimethylacetamide
CID 61383856
3-[(2-amino-2-oxoethyl)-ethylsulfamoyl]propanoic acid
CID 103101578
3-[butyl(ethyl)sulfamoyl]propanoic acid
CID 28773925
2-[ethyl(propylsulfonyl)amino]acetic acid
CID 61011722
3-[3-(dimethylamino)-3-oxopropyl]sulfonylpropanoic acid
CID 60961463
3-[bis(2-ethoxyethyl)sulfamoyl]propanoic acid
CID 82965858
3-[2-(diethylamino)ethyl-(2-methylpropyl)sulfamoyl]propanoic acid
CID 60950529
2-[ethenylsulfonyl(ethyl)amino]-N,N-dimethylacetamide
CID 167818857
3-[2-cyanopropyl(ethyl)sulfamoyl]propanoic acid
CID 60950576
4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]butanoic acid
CID 60948376
3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60952154
ethyl 3-[ethyl-(2-methoxy-2-oxoethyl)sulfamoyl]propanoate
CID 54998323

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid?
The IUPAC name of 3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid (CID 43588558) is 3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid is CCN(CC(=O)N(C)C)S(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid?
The InChIKey is MHSMVMZCRZMDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-4-11(7-8(12)10(2)3)17(15,16)6-5-9(13)14/h4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid?
3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid has a molecular weight of 266.32 g/mol, XLogP of -0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-2-oxoethyl]-ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 43588558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).