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

C8H21N3O3S — CID 61456911

IUPAC2-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]ethanol
SMILESCCN(CCO)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C8H21N3O3S/c1-3-11(7-8-12)15(13,14)10(2)6-4-5-9/h12H,3-9H2,1-2H3
InChIKeyINOZQSWTVDHYFI-UHFFFAOYSA-N
MW239.34 g/mol
LogP-1.17
Rot. Bonds8

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

2-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]ethanol (PubChem CID 61456911) has the molecular formula C8H21N3O3S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]ethanol
PubChem CID61456911
Molecular FormulaC8H21N3O3S
Molecular Weight239.34 g/mol
Exact Mass239.13
IUPAC Name2-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]ethanol
SMILESCCN(CCO)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C8H21N3O3S/c1-3-11(7-8-12)15(13,14)10(2)6-4-5-9/h12H,3-9H2,1-2H3
InChIKeyINOZQSWTVDHYFI-UHFFFAOYSA-N
XLogP-1.17
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]ethanol?
The IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]ethanol (CID 61456911) is 2-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]ethanol?
The canonical SMILES for 2-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]ethanol is CCN(CCO)S(=O)(=O)N(C)CCCN.
What is the InChIKey of 2-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]ethanol?
The InChIKey is INOZQSWTVDHYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O3S/c1-3-11(7-8-12)15(13,14)10(2)6-4-5-9/h12H,3-9H2,1-2H3.
What are the key properties of 2-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]ethanol?
2-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]ethanol has a molecular weight of 239.34 g/mol, XLogP of -1.17, 8 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]-ethylamino]ethanol is sourced from PubChem (CID 61456911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).