methyl 2-[3-(propan-2-ylamino)propylsulfamoyl]propanoate

C10H22N2O4S — CID 54951523

IUPACmethyl 2-[3-(propan-2-ylamino)propylsulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NCCCNC(C)C
InChIInChI=1S/C10H22N2O4S/c1-8(2)11-6-5-7-12-17(14,15)9(3)10(13)16-4/h8-9,11-12H,5-7H2,1-4H3
InChIKeyRXQHXPSHINELHH-UHFFFAOYSA-N
MW266.36 g/mol
LogP-0.14
Rot. Bonds8

About methyl 2-[3-(propan-2-ylamino)propylsulfamoyl]propanoate

methyl 2-[3-(propan-2-ylamino)propylsulfamoyl]propanoate (PubChem CID 54951523) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is methyl 2-[3-(propan-2-ylamino)propylsulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[3-(propan-2-ylamino)propylsulfamoyl]propanoate
PubChem CID54951523
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-[3-(propan-2-ylamino)propylsulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NCCCNC(C)C
InChIInChI=1S/C10H22N2O4S/c1-8(2)11-6-5-7-12-17(14,15)9(3)10(13)16-4/h8-9,11-12H,5-7H2,1-4H3
InChIKeyRXQHXPSHINELHH-UHFFFAOYSA-N
XLogP-0.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(propan-2-ylamino)propylsulfamoyl]propanoate?
The IUPAC name of methyl 2-[3-(propan-2-ylamino)propylsulfamoyl]propanoate (CID 54951523) is methyl 2-[3-(propan-2-ylamino)propylsulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[3-(propan-2-ylamino)propylsulfamoyl]propanoate?
The canonical SMILES for methyl 2-[3-(propan-2-ylamino)propylsulfamoyl]propanoate is COC(=O)C(C)S(=O)(=O)NCCCNC(C)C.
What is the InChIKey of methyl 2-[3-(propan-2-ylamino)propylsulfamoyl]propanoate?
The InChIKey is RXQHXPSHINELHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-8(2)11-6-5-7-12-17(14,15)9(3)10(13)16-4/h8-9,11-12H,5-7H2,1-4H3.
What are the key properties of methyl 2-[3-(propan-2-ylamino)propylsulfamoyl]propanoate?
methyl 2-[3-(propan-2-ylamino)propylsulfamoyl]propanoate has a molecular weight of 266.36 g/mol, XLogP of -0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(propan-2-ylamino)propylsulfamoyl]propanoate is sourced from PubChem (CID 54951523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).