3-[diethylsulfamoyl(propan-2-yl)amino]propanoic acid

C10H22N2O4S — CID 54925922

IUPAC3-[diethylsulfamoyl(propan-2-yl)amino]propanoic acid
SMILESCCN(CC)S(=O)(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C10H22N2O4S/c1-5-11(6-2)17(15,16)12(9(3)4)8-7-10(13)14/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyKPTCNCLTJPNIEF-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.76
Rot. Bonds8

About 3-[diethylsulfamoyl(propan-2-yl)amino]propanoic acid

3-[diethylsulfamoyl(propan-2-yl)amino]propanoic acid (PubChem CID 54925922) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-[diethylsulfamoyl(propan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[diethylsulfamoyl(propan-2-yl)amino]propanoic acid
PubChem CID54925922
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name3-[diethylsulfamoyl(propan-2-yl)amino]propanoic acid
SMILESCCN(CC)S(=O)(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C10H22N2O4S/c1-5-11(6-2)17(15,16)12(9(3)4)8-7-10(13)14/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyKPTCNCLTJPNIEF-UHFFFAOYSA-N
XLogP0.76
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[diethylsulfamoyl(propan-2-yl)amino]propanoic acid?
The IUPAC name of 3-[diethylsulfamoyl(propan-2-yl)amino]propanoic acid (CID 54925922) is 3-[diethylsulfamoyl(propan-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[diethylsulfamoyl(propan-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[diethylsulfamoyl(propan-2-yl)amino]propanoic acid is CCN(CC)S(=O)(=O)N(CCC(=O)O)C(C)C.
What is the InChIKey of 3-[diethylsulfamoyl(propan-2-yl)amino]propanoic acid?
The InChIKey is KPTCNCLTJPNIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-5-11(6-2)17(15,16)12(9(3)4)8-7-10(13)14/h9H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 3-[diethylsulfamoyl(propan-2-yl)amino]propanoic acid?
3-[diethylsulfamoyl(propan-2-yl)amino]propanoic acid has a molecular weight of 266.36 g/mol, XLogP of 0.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethylsulfamoyl(propan-2-yl)amino]propanoic acid is sourced from PubChem (CID 54925922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).