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

C13H31N3O3S — CID 106085328

IUPAC2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane
SMILESCC(C)COCCNS(=O)(=O)N(C)CCCNC(C)C
InChIInChI=1S/C13H31N3O3S/c1-12(2)11-19-10-8-15-20(17,18)16(5)9-6-7-14-13(3)4/h12-15H,6-11H2,1-5H3
InChIKeyWUVIQPQHAJLNBU-UHFFFAOYSA-N
MW309.48 g/mol
LogP0.81
Rot. Bonds12

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

2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane (PubChem CID 106085328) has the molecular formula C13H31N3O3S and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane.

Molecular Properties

Compound Name2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane
PubChem CID106085328
Molecular FormulaC13H31N3O3S
Molecular Weight309.48 g/mol
Exact Mass309.21
IUPAC Name2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane
SMILESCC(C)COCCNS(=O)(=O)N(C)CCCNC(C)C
InChIInChI=1S/C13H31N3O3S/c1-12(2)11-19-10-8-15-20(17,18)16(5)9-6-7-14-13(3)4/h12-15H,6-11H2,1-5H3
InChIKeyWUVIQPQHAJLNBU-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
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

[3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane
CID 106085300
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094
N-[2-(2-methylpropoxy)ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106085310
2-ethoxy-2-methyl-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propane
CID 106086729
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene
CID 106060187
2-methyl-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]-2-methylsulfanylpropane
CID 106080844
[methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane
CID 106094131
4-methyl-1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]pentane
CID 114137543
1-[3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propyl]triazole
CID 106077012
3-methyl-5-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]-1,2,4-oxadiazole
CID 106423755
2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane
CID 114138802
2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane
CID 106018827

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane?
The IUPAC name of 2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane (CID 106085328) is 2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane.
What is the SMILES notation for 2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane?
The canonical SMILES for 2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane is CC(C)COCCNS(=O)(=O)N(C)CCCNC(C)C.
What is the InChIKey of 2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane?
The InChIKey is WUVIQPQHAJLNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O3S/c1-12(2)11-19-10-8-15-20(17,18)16(5)9-6-7-14-13(3)4/h12-15H,6-11H2,1-5H3.
What are the key properties of 2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane?
2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane has a molecular weight of 309.48 g/mol, XLogP of 0.81, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethoxy]propane is sourced from PubChem (CID 106085328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).