4-[2-(diethylazaniumyl)ethylsulfamoyl]butanoate

C10H22N2O4S — CID 28773612

IUPAC4-[2-(diethylazaniumyl)ethylsulfamoyl]butanoate
SMILESCC[NH+](CC)CCNS(=O)(=O)CCCC(=O)[O-]
InChIInChI=1S/C10H22N2O4S/c1-3-12(4-2)8-7-11-17(15,16)9-5-6-10(13)14/h11H,3-9H2,1-2H3,(H,13,14)
InChIKeyDPHHNMNWDVBCJU-UHFFFAOYSA-N
MW266.36 g/mol
LogP-2.64
Rot. Bonds10

About 4-[2-(diethylazaniumyl)ethylsulfamoyl]butanoate

4-[2-(diethylazaniumyl)ethylsulfamoyl]butanoate (PubChem CID 28773612) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-[2-(diethylazaniumyl)ethylsulfamoyl]butanoate.

Molecular Properties

Compound Name4-[2-(diethylazaniumyl)ethylsulfamoyl]butanoate
PubChem CID28773612
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name4-[2-(diethylazaniumyl)ethylsulfamoyl]butanoate
SMILESCC[NH+](CC)CCNS(=O)(=O)CCCC(=O)[O-]
InChIInChI=1S/C10H22N2O4S/c1-3-12(4-2)8-7-11-17(15,16)9-5-6-10(13)14/h11H,3-9H2,1-2H3,(H,13,14)
InChIKeyDPHHNMNWDVBCJU-UHFFFAOYSA-N
XLogP-2.64
TPSA90.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-2.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylazaniumyl)butanoate
CID 38988212
potassium 3-(dodecylsulfonylamino)propanoate
CID 101285229
sodium 3-(heptadecylsulfonylamino)propanoate
CID 101284824
potassium 3-(octylsulfonylamino)propanoate
CID 101285225
4-[butyl(ethyl)azaniumyl]butanoate
CID 42233866
2-[[4-[2-(diethylazaniumyl)ethylamino]-4-oxobutanoyl]amino]acetate
CID 39290164
calcium bis(2-(heptadecylsulfonylamino)acetate)
CID 101284788
potassium 2-(dodecylsulfonylamino)acetate
CID 101284750
calcium bis(2-(nonylsulfonylamino)acetate)
CID 101284777
sodium 2-(nonadecylsulfonylamino)acetate
CID 101284691
calcium bis(2-(dodecylsulfonylamino)acetate)
CID 101284783
sodium 2-(heptadecylsulfonylamino)acetate
CID 101284688

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylazaniumyl)ethylsulfamoyl]butanoate?
The IUPAC name of 4-[2-(diethylazaniumyl)ethylsulfamoyl]butanoate (CID 28773612) is 4-[2-(diethylazaniumyl)ethylsulfamoyl]butanoate.
What is the SMILES notation for 4-[2-(diethylazaniumyl)ethylsulfamoyl]butanoate?
The canonical SMILES for 4-[2-(diethylazaniumyl)ethylsulfamoyl]butanoate is CC[NH+](CC)CCNS(=O)(=O)CCCC(=O)[O-].
What is the InChIKey of 4-[2-(diethylazaniumyl)ethylsulfamoyl]butanoate?
The InChIKey is DPHHNMNWDVBCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-3-12(4-2)8-7-11-17(15,16)9-5-6-10(13)14/h11H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 4-[2-(diethylazaniumyl)ethylsulfamoyl]butanoate?
4-[2-(diethylazaniumyl)ethylsulfamoyl]butanoate has a molecular weight of 266.36 g/mol, XLogP of -2.64, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylazaniumyl)ethylsulfamoyl]butanoate is sourced from PubChem (CID 28773612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).