3-(diethylsulfamoylamino)-2-hydroxypropanoic acid

C7H16N2O5S — CID 66165440

IUPAC3-(diethylsulfamoylamino)-2-hydroxypropanoic acid
SMILESCCN(CC)S(=O)(=O)NCC(O)C(=O)O
InChIInChI=1S/C7H16N2O5S/c1-3-9(4-2)15(13,14)8-5-6(10)7(11)12/h6,8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyUBJXWNKFOCFAHM-UHFFFAOYSA-N
MW240.28 g/mol
LogP-1.39
Rot. Bonds7

About 3-(diethylsulfamoylamino)-2-hydroxypropanoic acid

3-(diethylsulfamoylamino)-2-hydroxypropanoic acid (PubChem CID 66165440) has the molecular formula C7H16N2O5S and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-(diethylsulfamoylamino)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(diethylsulfamoylamino)-2-hydroxypropanoic acid
PubChem CID66165440
Molecular FormulaC7H16N2O5S
Molecular Weight240.28 g/mol
Exact Mass240.08
IUPAC Name3-(diethylsulfamoylamino)-2-hydroxypropanoic acid
SMILESCCN(CC)S(=O)(=O)NCC(O)C(=O)O
InChIInChI=1S/C7H16N2O5S/c1-3-9(4-2)15(13,14)8-5-6(10)7(11)12/h6,8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyUBJXWNKFOCFAHM-UHFFFAOYSA-N
XLogP-1.39
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoylamino)-2-hydroxypropanoic acid?
The IUPAC name of 3-(diethylsulfamoylamino)-2-hydroxypropanoic acid (CID 66165440) is 3-(diethylsulfamoylamino)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(diethylsulfamoylamino)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(diethylsulfamoylamino)-2-hydroxypropanoic acid is CCN(CC)S(=O)(=O)NCC(O)C(=O)O.
What is the InChIKey of 3-(diethylsulfamoylamino)-2-hydroxypropanoic acid?
The InChIKey is UBJXWNKFOCFAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O5S/c1-3-9(4-2)15(13,14)8-5-6(10)7(11)12/h6,8,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 3-(diethylsulfamoylamino)-2-hydroxypropanoic acid?
3-(diethylsulfamoylamino)-2-hydroxypropanoic acid has a molecular weight of 240.28 g/mol, XLogP of -1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoylamino)-2-hydroxypropanoic acid is sourced from PubChem (CID 66165440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).