2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane

C13H31N3O3S — CID 106086751

IUPAC2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane
SMILESCCCNCCCN(C)S(=O)(=O)NCC(C)(C)OCC
InChIInChI=1S/C13H31N3O3S/c1-6-9-14-10-8-11-16(5)20(17,18)15-12-13(3,4)19-7-2/h14-15H,6-12H2,1-5H3
InChIKeyTXVWPUBNTJZVMF-UHFFFAOYSA-N
MW309.48 g/mol
LogP0.96
Rot. Bonds12

About 2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane

2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane (PubChem CID 106086751) has the molecular formula C13H31N3O3S and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane
PubChem CID106086751
Molecular FormulaC13H31N3O3S
Molecular Weight309.48 g/mol
Exact Mass309.21
IUPAC Name2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane
SMILESCCCNCCCN(C)S(=O)(=O)NCC(C)(C)OCC
InChIInChI=1S/C13H31N3O3S/c1-6-9-14-10-8-11-16(5)20(17,18)15-12-13(3,4)19-7-2/h14-15H,6-12H2,1-5H3
InChIKeyTXVWPUBNTJZVMF-UHFFFAOYSA-N
XLogP0.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-2-methyl-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propane
CID 106086729
2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 106091151
N-(2-ethoxy-2-methylpropyl)-1-(propylamino)propane-2-sulfonamide
CID 114142427
1-methoxy-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]butane
CID 106068275
1-[[butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methylpropane
CID 65113164
N-(2-ethoxy-2-methylpropyl)propane-1-sulfonamide
CID 114944335
N-(2-ethoxy-2-methylpropyl)ethanesulfonamide
CID 114944336
N-(2-ethoxy-2-methylpropyl)methanesulfonamide
CID 114944342
1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane
CID 120716233
1-[2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethyl]triazole
CID 106077211
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane
CID 106084813
[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane
CID 106058824

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane?
The IUPAC name of 2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane (CID 106086751) is 2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane.
What is the SMILES notation for 2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane?
The canonical SMILES for 2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane is CCCNCCCN(C)S(=O)(=O)NCC(C)(C)OCC.
What is the InChIKey of 2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane?
The InChIKey is TXVWPUBNTJZVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O3S/c1-6-9-14-10-8-11-16(5)20(17,18)15-12-13(3,4)19-7-2/h14-15H,6-12H2,1-5H3.
What are the key properties of 2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane?
2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane has a molecular weight of 309.48 g/mol, XLogP of 0.96, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]propane is sourced from PubChem (CID 106086751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).