methyl 3-(dimethylsulfamoylamino)-2-hydroxypropanoate

C6H14N2O5S — CID 103878721

IUPACmethyl 3-(dimethylsulfamoylamino)-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)N(C)C
InChIInChI=1S/C6H14N2O5S/c1-8(2)14(11,12)7-4-5(9)6(10)13-3/h5,7,9H,4H2,1-3H3
InChIKeyFGUKOHZRCBYROT-UHFFFAOYSA-N
MW226.25 g/mol
LogP-2.08
Rot. Bonds5

About methyl 3-(dimethylsulfamoylamino)-2-hydroxypropanoate

methyl 3-(dimethylsulfamoylamino)-2-hydroxypropanoate (PubChem CID 103878721) has the molecular formula C6H14N2O5S and a molecular weight of 226.25 g/mol. Its IUPAC name is methyl 3-(dimethylsulfamoylamino)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(dimethylsulfamoylamino)-2-hydroxypropanoate
PubChem CID103878721
Molecular FormulaC6H14N2O5S
Molecular Weight226.25 g/mol
Exact Mass226.06
IUPAC Namemethyl 3-(dimethylsulfamoylamino)-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)N(C)C
InChIInChI=1S/C6H14N2O5S/c1-8(2)14(11,12)7-4-5(9)6(10)13-3/h5,7,9H,4H2,1-3H3
InChIKeyFGUKOHZRCBYROT-UHFFFAOYSA-N
XLogP-2.08
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 5-2.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylsulfamoylamino)-2-hydroxypropanoate?
The IUPAC name of methyl 3-(dimethylsulfamoylamino)-2-hydroxypropanoate (CID 103878721) is methyl 3-(dimethylsulfamoylamino)-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-(dimethylsulfamoylamino)-2-hydroxypropanoate?
The canonical SMILES for methyl 3-(dimethylsulfamoylamino)-2-hydroxypropanoate is COC(=O)C(O)CNS(=O)(=O)N(C)C.
What is the InChIKey of methyl 3-(dimethylsulfamoylamino)-2-hydroxypropanoate?
The InChIKey is FGUKOHZRCBYROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O5S/c1-8(2)14(11,12)7-4-5(9)6(10)13-3/h5,7,9H,4H2,1-3H3.
What are the key properties of methyl 3-(dimethylsulfamoylamino)-2-hydroxypropanoate?
methyl 3-(dimethylsulfamoylamino)-2-hydroxypropanoate has a molecular weight of 226.25 g/mol, XLogP of -2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylsulfamoylamino)-2-hydroxypropanoate is sourced from PubChem (CID 103878721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).