methyl 2-hydroxy-3-(propylsulfamoylamino)propanoate

C7H16N2O5S — CID 103491271

IUPACmethyl 2-hydroxy-3-(propylsulfamoylamino)propanoate
SMILESCCCNS(=O)(=O)NCC(O)C(=O)OC
InChIInChI=1S/C7H16N2O5S/c1-3-4-8-15(12,13)9-5-6(10)7(11)14-2/h6,8-10H,3-5H2,1-2H3
InChIKeyIRGFNEXHFKWZRB-UHFFFAOYSA-N
MW240.28 g/mol
LogP-1.65
Rot. Bonds7

About methyl 2-hydroxy-3-(propylsulfamoylamino)propanoate

methyl 2-hydroxy-3-(propylsulfamoylamino)propanoate (PubChem CID 103491271) has the molecular formula C7H16N2O5S and a molecular weight of 240.28 g/mol. Its IUPAC name is methyl 2-hydroxy-3-(propylsulfamoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-(propylsulfamoylamino)propanoate
PubChem CID103491271
Molecular FormulaC7H16N2O5S
Molecular Weight240.28 g/mol
Exact Mass240.08
IUPAC Namemethyl 2-hydroxy-3-(propylsulfamoylamino)propanoate
SMILESCCCNS(=O)(=O)NCC(O)C(=O)OC
InChIInChI=1S/C7H16N2O5S/c1-3-4-8-15(12,13)9-5-6(10)7(11)14-2/h6,8-10H,3-5H2,1-2H3
InChIKeyIRGFNEXHFKWZRB-UHFFFAOYSA-N
XLogP-1.65
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-(propylsulfamoylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-3-(propylsulfamoylamino)propanoate (CID 103491271) is methyl 2-hydroxy-3-(propylsulfamoylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-(propylsulfamoylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-3-(propylsulfamoylamino)propanoate is CCCNS(=O)(=O)NCC(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-3-(propylsulfamoylamino)propanoate?
The InChIKey is IRGFNEXHFKWZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O5S/c1-3-4-8-15(12,13)9-5-6(10)7(11)14-2/h6,8-10H,3-5H2,1-2H3.
What are the key properties of methyl 2-hydroxy-3-(propylsulfamoylamino)propanoate?
methyl 2-hydroxy-3-(propylsulfamoylamino)propanoate has a molecular weight of 240.28 g/mol, XLogP of -1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-(propylsulfamoylamino)propanoate is sourced from PubChem (CID 103491271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).