methyl 3-(methylsulfamoylamino)propanoate

C5H12N2O4S — CID 14148291

IUPACmethyl 3-(methylsulfamoylamino)propanoate
SMILESCNS(=O)(=O)NCCC(=O)OC
InChIInChI=1S/C5H12N2O4S/c1-6-12(9,10)7-4-3-5(8)11-2/h6-7H,3-4H2,1-2H3
InChIKeyIBCSNADXKMOPCC-UHFFFAOYSA-N
MW196.23 g/mol
LogP-1.40
Rot. Bonds5

About methyl 3-(methylsulfamoylamino)propanoate

methyl 3-(methylsulfamoylamino)propanoate (PubChem CID 14148291) has the molecular formula C5H12N2O4S and a molecular weight of 196.23 g/mol. Its IUPAC name is methyl 3-(methylsulfamoylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(methylsulfamoylamino)propanoate
PubChem CID14148291
Molecular FormulaC5H12N2O4S
Molecular Weight196.23 g/mol
Exact Mass196.05
IUPAC Namemethyl 3-(methylsulfamoylamino)propanoate
SMILESCNS(=O)(=O)NCCC(=O)OC
InChIInChI=1S/C5H12N2O4S/c1-6-12(9,10)7-4-3-5(8)11-2/h6-7H,3-4H2,1-2H3
InChIKeyIBCSNADXKMOPCC-UHFFFAOYSA-N
XLogP-1.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylsulfamoylamino)propanoate?
The IUPAC name of methyl 3-(methylsulfamoylamino)propanoate (CID 14148291) is methyl 3-(methylsulfamoylamino)propanoate.
What is the SMILES notation for methyl 3-(methylsulfamoylamino)propanoate?
The canonical SMILES for methyl 3-(methylsulfamoylamino)propanoate is CNS(=O)(=O)NCCC(=O)OC.
What is the InChIKey of methyl 3-(methylsulfamoylamino)propanoate?
The InChIKey is IBCSNADXKMOPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O4S/c1-6-12(9,10)7-4-3-5(8)11-2/h6-7H,3-4H2,1-2H3.
What are the key properties of methyl 3-(methylsulfamoylamino)propanoate?
methyl 3-(methylsulfamoylamino)propanoate has a molecular weight of 196.23 g/mol, XLogP of -1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylsulfamoylamino)propanoate is sourced from PubChem (CID 14148291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).