(2S)-3-(diethylsulfamoylamino)-2-hydroxypropanoic acid

C7H16N2O5S — CID 104936006

IUPAC(2S)-3-(diethylsulfamoylamino)-2-hydroxypropanoic acid
SMILESCCN(CC)S(=O)(=O)NC[C@H](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)/t6-/m0/s1
InChIKeyUBJXWNKFOCFAHM-LURJTMIESA-N
MW240.28 g/mol
LogP-1.39
Rot. Bonds7

About (2S)-3-(diethylsulfamoylamino)-2-hydroxypropanoic acid

(2S)-3-(diethylsulfamoylamino)-2-hydroxypropanoic acid (PubChem CID 104936006) has the molecular formula C7H16N2O5S and a molecular weight of 240.28 g/mol. Its IUPAC name is (2S)-3-(diethylsulfamoylamino)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-(diethylsulfamoylamino)-2-hydroxypropanoic acid
PubChem CID104936006
Molecular FormulaC7H16N2O5S
Molecular Weight240.28 g/mol
Exact Mass240.08
IUPAC Name(2S)-3-(diethylsulfamoylamino)-2-hydroxypropanoic acid
SMILESCCN(CC)S(=O)(=O)NC[C@H](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)/t6-/m0/s1
InChIKeyUBJXWNKFOCFAHM-LURJTMIESA-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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Related Compounds

3-amino-2-hydroxypropanoic acid;N,N-diethylethanamine
CID 87890372
3-[2-Hydroxypropylsulfamoyl(methyl)amino]propanoic acid
CID 65684324
Methyl 3-[(2-hydroxy-3-methoxypropyl)sulfamoyl-methylamino]propanoate
CID 65685979
3-[(2-Hydroxy-3-methoxypropyl)sulfamoyl-methylamino]propanoic acid
CID 65685980
3-[[Butyl(methyl)sulfamoyl]amino]-2-hydroxypropanoic acid
CID 66165049
2-Hydroxy-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanoic acid
CID 66165051
3-(Diethylsulfamoylamino)-2-hydroxypropanoic acid
CID 66165440
3-(Dipropylsulfamoylamino)-2-hydroxypropanoic acid
CID 66166481
2-Hydroxy-3-(pyrrolidin-1-ylsulfonylamino)propanoic acid
CID 66167094
3-(Dimethylsulfamoylamino)-2-hydroxypropanoic acid
CID 66167505
2-Hydroxy-3-(piperidin-1-ylsulfonylamino)propanoic acid
CID 66167936
2-Hydroxy-3-(morpholin-4-ylsulfonylamino)propanoic acid
CID 66168148

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(diethylsulfamoylamino)-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-(diethylsulfamoylamino)-2-hydroxypropanoic acid (CID 104936006) is (2S)-3-(diethylsulfamoylamino)-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-(diethylsulfamoylamino)-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-(diethylsulfamoylamino)-2-hydroxypropanoic acid is CCN(CC)S(=O)(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-(diethylsulfamoylamino)-2-hydroxypropanoic acid?
The InChIKey is UBJXWNKFOCFAHM-LURJTMIESA-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)/t6-/m0/s1.
What are the key properties of (2S)-3-(diethylsulfamoylamino)-2-hydroxypropanoic acid?
(2S)-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 (2S)-3-(diethylsulfamoylamino)-2-hydroxypropanoic acid is sourced from PubChem (CID 104936006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).