methyl 2-(diethylsulfamoylamino)-3-hydroxypropanoate

C8H18N2O5S — CID 43624339

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

About methyl 2-(diethylsulfamoylamino)-3-hydroxypropanoate

methyl 2-(diethylsulfamoylamino)-3-hydroxypropanoate (PubChem CID 43624339) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is methyl 2-(diethylsulfamoylamino)-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-(diethylsulfamoylamino)-3-hydroxypropanoate
PubChem CID43624339
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Namemethyl 2-(diethylsulfamoylamino)-3-hydroxypropanoate
SMILESCCN(CC)S(=O)(=O)NC(CO)C(=O)OC
InChIInChI=1S/C8H18N2O5S/c1-4-10(5-2)16(13,14)9-7(6-11)8(12)15-3/h7,9,11H,4-6H2,1-3H3
InChIKeyCFZIMQFUASUMEF-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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Related Compounds

(2S)-2-(diethylsulfamoylamino)-4-methoxy-4-oxobutanoic acid
CID 63307130
methyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate
CID 93038199
methyl (2S)-2-(diethylsulfamoylamino)-3-(1H-imidazol-5-yl)propanoate
CID 107876610
methyl (2S)-3-hydroxy-2-(iodoamino)propanoate
CID 147455572
methyl 2-formamido-3-hydroxypropanoate
CID 20784540
methyl 2-(cyanoamino)-3-hydroxypropanoate
CID 107856866
methyl 2-(carbamoylamino)-3-hydroxypropanoate
CID 43311462
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate
CID 61299485
methyl 3-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 3776760
methyl 4-[(3-hydroxy-1-methoxy-1-oxopropan-2-yl)sulfamoyl]benzoate
CID 43624280
[(1S)-1-(diethylsulfamoylamino)-2-hydroxyethyl]benzene
CID 103825683
methyl 2-[(2-chloropyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate
CID 61051901

Frequently Asked Questions

What is the IUPAC name of methyl 2-(diethylsulfamoylamino)-3-hydroxypropanoate?
The IUPAC name of methyl 2-(diethylsulfamoylamino)-3-hydroxypropanoate (CID 43624339) is methyl 2-(diethylsulfamoylamino)-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-(diethylsulfamoylamino)-3-hydroxypropanoate?
The canonical SMILES for methyl 2-(diethylsulfamoylamino)-3-hydroxypropanoate is CCN(CC)S(=O)(=O)NC(CO)C(=O)OC.
What is the InChIKey of methyl 2-(diethylsulfamoylamino)-3-hydroxypropanoate?
The InChIKey is CFZIMQFUASUMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-4-10(5-2)16(13,14)9-7(6-11)8(12)15-3/h7,9,11H,4-6H2,1-3H3.
What are the key properties of methyl 2-(diethylsulfamoylamino)-3-hydroxypropanoate?
methyl 2-(diethylsulfamoylamino)-3-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 2-(diethylsulfamoylamino)-3-hydroxypropanoate is sourced from PubChem (CID 43624339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).