methyl 3-(diethylsulfamoylamino)-2-hydroxypropanoate

C8H18N2O5S — CID 103878740

IUPACmethyl 3-(diethylsulfamoylamino)-2-hydroxypropanoate
SMILESCCN(CC)S(=O)(=O)NCC(O)C(=O)OC
InChIInChI=1S/C8H18N2O5S/c1-4-10(5-2)16(13,14)9-6-7(11)8(12)15-3/h7,9,11H,4-6H2,1-3H3
InChIKeyJLSNOUQWAWOXAT-UHFFFAOYSA-N
MW254.31 g/mol
LogP-1.30
Rot. Bonds7

About methyl 3-(diethylsulfamoylamino)-2-hydroxypropanoate

methyl 3-(diethylsulfamoylamino)-2-hydroxypropanoate (PubChem CID 103878740) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is methyl 3-(diethylsulfamoylamino)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(diethylsulfamoylamino)-2-hydroxypropanoate
PubChem CID103878740
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Namemethyl 3-(diethylsulfamoylamino)-2-hydroxypropanoate
SMILESCCN(CC)S(=O)(=O)NCC(O)C(=O)OC
InChIInChI=1S/C8H18N2O5S/c1-4-10(5-2)16(13,14)9-6-7(11)8(12)15-3/h7,9,11H,4-6H2,1-3H3
InChIKeyJLSNOUQWAWOXAT-UHFFFAOYSA-N
XLogP-1.30
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(diethylsulfamoylamino)-2-hydroxypropanoate?
The IUPAC name of methyl 3-(diethylsulfamoylamino)-2-hydroxypropanoate (CID 103878740) is methyl 3-(diethylsulfamoylamino)-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-(diethylsulfamoylamino)-2-hydroxypropanoate?
The canonical SMILES for methyl 3-(diethylsulfamoylamino)-2-hydroxypropanoate is CCN(CC)S(=O)(=O)NCC(O)C(=O)OC.
What is the InChIKey of methyl 3-(diethylsulfamoylamino)-2-hydroxypropanoate?
The InChIKey is JLSNOUQWAWOXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-4-10(5-2)16(13,14)9-6-7(11)8(12)15-3/h7,9,11H,4-6H2,1-3H3.
What are the key properties of methyl 3-(diethylsulfamoylamino)-2-hydroxypropanoate?
methyl 3-(diethylsulfamoylamino)-2-hydroxypropanoate has a molecular weight of 254.31 g/mol, XLogP of -1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(diethylsulfamoylamino)-2-hydroxypropanoate is sourced from PubChem (CID 103878740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).