2-[[3-aminopropyl(methyl)sulfamoyl]-propylamino]ethanol

C9H23N3O3S — CID 61456875

IUPAC2-[[3-aminopropyl(methyl)sulfamoyl]-propylamino]ethanol
SMILESCCCN(CCO)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C9H23N3O3S/c1-3-6-12(8-9-13)16(14,15)11(2)7-4-5-10/h13H,3-10H2,1-2H3
InChIKeyQVTLTISAHPIHDR-UHFFFAOYSA-N
MW253.37 g/mol
LogP-0.78
Rot. Bonds9

About 2-[[3-aminopropyl(methyl)sulfamoyl]-propylamino]ethanol

2-[[3-aminopropyl(methyl)sulfamoyl]-propylamino]ethanol (PubChem CID 61456875) has the molecular formula C9H23N3O3S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[[3-aminopropyl(methyl)sulfamoyl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[3-aminopropyl(methyl)sulfamoyl]-propylamino]ethanol
PubChem CID61456875
Molecular FormulaC9H23N3O3S
Molecular Weight253.37 g/mol
Exact Mass253.15
IUPAC Name2-[[3-aminopropyl(methyl)sulfamoyl]-propylamino]ethanol
SMILESCCCN(CCO)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C9H23N3O3S/c1-3-6-12(8-9-13)16(14,15)11(2)7-4-5-10/h13H,3-10H2,1-2H3
InChIKeyQVTLTISAHPIHDR-UHFFFAOYSA-N
XLogP-0.78
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]-propylamino]ethanol?
The IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]-propylamino]ethanol (CID 61456875) is 2-[[3-aminopropyl(methyl)sulfamoyl]-propylamino]ethanol.
What is the SMILES notation for 2-[[3-aminopropyl(methyl)sulfamoyl]-propylamino]ethanol?
The canonical SMILES for 2-[[3-aminopropyl(methyl)sulfamoyl]-propylamino]ethanol is CCCN(CCO)S(=O)(=O)N(C)CCCN.
What is the InChIKey of 2-[[3-aminopropyl(methyl)sulfamoyl]-propylamino]ethanol?
The InChIKey is QVTLTISAHPIHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O3S/c1-3-6-12(8-9-13)16(14,15)11(2)7-4-5-10/h13H,3-10H2,1-2H3.
What are the key properties of 2-[[3-aminopropyl(methyl)sulfamoyl]-propylamino]ethanol?
2-[[3-aminopropyl(methyl)sulfamoyl]-propylamino]ethanol has a molecular weight of 253.37 g/mol, XLogP of -0.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-aminopropyl(methyl)sulfamoyl]-propylamino]ethanol is sourced from PubChem (CID 61456875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).