methyl 3-(benzylsulfamoylamino)propanoate

C11H16N2O4S — CID 44590261

IUPACmethyl 3-(benzylsulfamoylamino)propanoate
SMILESCOC(=O)CCNS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C11H16N2O4S/c1-17-11(14)7-8-12-18(15,16)13-9-10-5-3-2-4-6-10/h2-6,12-13H,7-9H2,1H3
InChIKeyMIYBUOSZXNKTDO-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.17
Rot. Bonds7

About methyl 3-(benzylsulfamoylamino)propanoate

methyl 3-(benzylsulfamoylamino)propanoate (PubChem CID 44590261) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 3-(benzylsulfamoylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(benzylsulfamoylamino)propanoate
PubChem CID44590261
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 3-(benzylsulfamoylamino)propanoate
SMILESCOC(=O)CCNS(=O)(=O)NCc1ccccc1
InChIInChI=1S/C11H16N2O4S/c1-17-11(14)7-8-12-18(15,16)13-9-10-5-3-2-4-6-10/h2-6,12-13H,7-9H2,1H3
InChIKeyMIYBUOSZXNKTDO-UHFFFAOYSA-N
XLogP0.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzylsulfamoylamino)propanoate?
The IUPAC name of methyl 3-(benzylsulfamoylamino)propanoate (CID 44590261) is methyl 3-(benzylsulfamoylamino)propanoate.
What is the SMILES notation for methyl 3-(benzylsulfamoylamino)propanoate?
The canonical SMILES for methyl 3-(benzylsulfamoylamino)propanoate is COC(=O)CCNS(=O)(=O)NCc1ccccc1.
What is the InChIKey of methyl 3-(benzylsulfamoylamino)propanoate?
The InChIKey is MIYBUOSZXNKTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-17-11(14)7-8-12-18(15,16)13-9-10-5-3-2-4-6-10/h2-6,12-13H,7-9H2,1H3.
What are the key properties of methyl 3-(benzylsulfamoylamino)propanoate?
methyl 3-(benzylsulfamoylamino)propanoate has a molecular weight of 272.33 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzylsulfamoylamino)propanoate is sourced from PubChem (CID 44590261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).