ethyl 2-methyl-2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]propylamino]propanoate

C15H30N2O6S — CID 58961370

IUPACethyl 2-methyl-2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]propylamino]propanoate
SMILESCCOC(=O)C(C)(C)NCCCS(=O)(=O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O6S/c1-8-22-12(18)15(5,6)16-10-9-11-24(20,21)17(7)13(19)23-14(2,3)4/h16H,8-11H2,1-7H3
InChIKeyTUSJQFWUJMUBDH-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.50
Rot. Bonds8

About ethyl 2-methyl-2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]propylamino]propanoate

ethyl 2-methyl-2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]propylamino]propanoate (PubChem CID 58961370) has the molecular formula C15H30N2O6S and a molecular weight of 366.48 g/mol. Its IUPAC name is ethyl 2-methyl-2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]propylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]propylamino]propanoate
PubChem CID58961370
Molecular FormulaC15H30N2O6S
Molecular Weight366.48 g/mol
Exact Mass366.18
IUPAC Nameethyl 2-methyl-2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]propylamino]propanoate
SMILESCCOC(=O)C(C)(C)NCCCS(=O)(=O)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O6S/c1-8-22-12(18)15(5,6)16-10-9-11-24(20,21)17(7)13(19)23-14(2,3)4/h16H,8-11H2,1-7H3
InChIKeyTUSJQFWUJMUBDH-UHFFFAOYSA-N
XLogP1.50
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 ethyl 2-methyl-2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]propylamino]propanoate?
The IUPAC name of ethyl 2-methyl-2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]propylamino]propanoate (CID 58961370) is ethyl 2-methyl-2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]propylamino]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]propylamino]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]propylamino]propanoate is CCOC(=O)C(C)(C)NCCCS(=O)(=O)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 2-methyl-2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]propylamino]propanoate?
The InChIKey is TUSJQFWUJMUBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O6S/c1-8-22-12(18)15(5,6)16-10-9-11-24(20,21)17(7)13(19)23-14(2,3)4/h16H,8-11H2,1-7H3.
What are the key properties of ethyl 2-methyl-2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]propylamino]propanoate?
ethyl 2-methyl-2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]propylamino]propanoate has a molecular weight of 366.48 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]propylamino]propanoate is sourced from PubChem (CID 58961370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).