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

C12H26N2O4S — CID 54926019

IUPAC3-[dipropylsulfamoyl(propan-2-yl)amino]propanoic acid
SMILESCCCN(CCC)S(=O)(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C12H26N2O4S/c1-5-8-13(9-6-2)19(17,18)14(11(3)4)10-7-12(15)16/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyHNZGDHXWIRXGES-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.54
Rot. Bonds10

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

3-[dipropylsulfamoyl(propan-2-yl)amino]propanoic acid (PubChem CID 54926019) has the molecular formula C12H26N2O4S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-[dipropylsulfamoyl(propan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[dipropylsulfamoyl(propan-2-yl)amino]propanoic acid
PubChem CID54926019
Molecular FormulaC12H26N2O4S
Molecular Weight294.42 g/mol
Exact Mass294.16
IUPAC Name3-[dipropylsulfamoyl(propan-2-yl)amino]propanoic acid
SMILESCCCN(CCC)S(=O)(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C12H26N2O4S/c1-5-8-13(9-6-2)19(17,18)14(11(3)4)10-7-12(15)16/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyHNZGDHXWIRXGES-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[dipropylsulfamoyl(propan-2-yl)amino]propanoic acid?
The IUPAC name of 3-[dipropylsulfamoyl(propan-2-yl)amino]propanoic acid (CID 54926019) is 3-[dipropylsulfamoyl(propan-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[dipropylsulfamoyl(propan-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[dipropylsulfamoyl(propan-2-yl)amino]propanoic acid is CCCN(CCC)S(=O)(=O)N(CCC(=O)O)C(C)C.
What is the InChIKey of 3-[dipropylsulfamoyl(propan-2-yl)amino]propanoic acid?
The InChIKey is HNZGDHXWIRXGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O4S/c1-5-8-13(9-6-2)19(17,18)14(11(3)4)10-7-12(15)16/h11H,5-10H2,1-4H3,(H,15,16).
What are the key properties of 3-[dipropylsulfamoyl(propan-2-yl)amino]propanoic acid?
3-[dipropylsulfamoyl(propan-2-yl)amino]propanoic acid has a molecular weight of 294.42 g/mol, XLogP of 1.54, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dipropylsulfamoyl(propan-2-yl)amino]propanoic acid is sourced from PubChem (CID 54926019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).