3-(dimethylsulfamoylamino)-2-hydroxypropanoic acid

C5H12N2O5S — CID 66167505

IUPAC3-(dimethylsulfamoylamino)-2-hydroxypropanoic acid
SMILESCN(C)S(=O)(=O)NCC(O)C(=O)O
InChIInChI=1S/C5H12N2O5S/c1-7(2)13(11,12)6-3-4(8)5(9)10/h4,6,8H,3H2,1-2H3,(H,9,10)
InChIKeyFQOZIMPOGRZWPX-UHFFFAOYSA-N
MW212.23 g/mol
LogP-2.17
Rot. Bonds5

About 3-(dimethylsulfamoylamino)-2-hydroxypropanoic acid

3-(dimethylsulfamoylamino)-2-hydroxypropanoic acid (PubChem CID 66167505) has the molecular formula C5H12N2O5S and a molecular weight of 212.23 g/mol. Its IUPAC name is 3-(dimethylsulfamoylamino)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(dimethylsulfamoylamino)-2-hydroxypropanoic acid
PubChem CID66167505
Molecular FormulaC5H12N2O5S
Molecular Weight212.23 g/mol
Exact Mass212.05
IUPAC Name3-(dimethylsulfamoylamino)-2-hydroxypropanoic acid
SMILESCN(C)S(=O)(=O)NCC(O)C(=O)O
InChIInChI=1S/C5H12N2O5S/c1-7(2)13(11,12)6-3-4(8)5(9)10/h4,6,8H,3H2,1-2H3,(H,9,10)
InChIKeyFQOZIMPOGRZWPX-UHFFFAOYSA-N
XLogP-2.17
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-2.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoylamino)-2-hydroxypropanoic acid?
The IUPAC name of 3-(dimethylsulfamoylamino)-2-hydroxypropanoic acid (CID 66167505) is 3-(dimethylsulfamoylamino)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(dimethylsulfamoylamino)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(dimethylsulfamoylamino)-2-hydroxypropanoic acid is CN(C)S(=O)(=O)NCC(O)C(=O)O.
What is the InChIKey of 3-(dimethylsulfamoylamino)-2-hydroxypropanoic acid?
The InChIKey is FQOZIMPOGRZWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O5S/c1-7(2)13(11,12)6-3-4(8)5(9)10/h4,6,8H,3H2,1-2H3,(H,9,10).
What are the key properties of 3-(dimethylsulfamoylamino)-2-hydroxypropanoic acid?
3-(dimethylsulfamoylamino)-2-hydroxypropanoic acid has a molecular weight of 212.23 g/mol, XLogP of -2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoylamino)-2-hydroxypropanoic acid is sourced from PubChem (CID 66167505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).