3-[dipropylsulfamoyl(ethyl)amino]-2-methylpropanoic acid

C12H26N2O4S — CID 55122912

IUPAC3-[dipropylsulfamoyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCCN(CCC)S(=O)(=O)N(CC)CC(C)C(=O)O
InChIInChI=1S/C12H26N2O4S/c1-5-8-14(9-6-2)19(17,18)13(7-3)10-11(4)12(15)16/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyNTLDKTKEDQDFLU-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.40
Rot. Bonds10

About 3-[dipropylsulfamoyl(ethyl)amino]-2-methylpropanoic acid

3-[dipropylsulfamoyl(ethyl)amino]-2-methylpropanoic acid (PubChem CID 55122912) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-[dipropylsulfamoyl(ethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[dipropylsulfamoyl(ethyl)amino]-2-methylpropanoic acid
PubChem CID55122912
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC Name3-[dipropylsulfamoyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCCN(CCC)S(=O)(=O)N(CC)CC(C)C(=O)O
InChIInChI=1S/C12H26N2O4S/c1-5-8-14(9-6-2)19(17,18)13(7-3)10-11(4)12(15)16/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyNTLDKTKEDQDFLU-UHFFFAOYSA-N
XLogP1.40
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[dipropylsulfamoyl(ethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[dipropylsulfamoyl(ethyl)amino]-2-methylpropanoic acid (CID 55122912) is 3-[dipropylsulfamoyl(ethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[dipropylsulfamoyl(ethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[dipropylsulfamoyl(ethyl)amino]-2-methylpropanoic acid is CCCN(CCC)S(=O)(=O)N(CC)CC(C)C(=O)O.
What is the InChIKey of 3-[dipropylsulfamoyl(ethyl)amino]-2-methylpropanoic acid?
The InChIKey is NTLDKTKEDQDFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-5-8-14(9-6-2)19(17,18)13(7-3)10-11(4)12(15)16/h11H,5-10H2,1-4H3,(H,15,16).
What are the key properties of 3-[dipropylsulfamoyl(ethyl)amino]-2-methylpropanoic acid?
3-[dipropylsulfamoyl(ethyl)amino]-2-methylpropanoic acid has a molecular weight of 294.42 g/mol, XLogP of 1.40, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dipropylsulfamoyl(ethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 55122912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).