4-[[3-aminopropyl(methyl)sulfamoyl]amino]oxane

C9H21N3O3S — CID 61456869

IUPAC4-[[3-aminopropyl(methyl)sulfamoyl]amino]oxane
SMILESCN(CCCN)S(=O)(=O)NC1CCOCC1
InChIInChI=1S/C9H21N3O3S/c1-12(6-2-5-10)16(13,14)11-9-3-7-15-8-4-9/h9,11H,2-8,10H2,1H3
InChIKeyYLHOUEKEBTZUHA-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.72
Rot. Bonds6

About 4-[[3-aminopropyl(methyl)sulfamoyl]amino]oxane

4-[[3-aminopropyl(methyl)sulfamoyl]amino]oxane (PubChem CID 61456869) has the molecular formula C9H21N3O3S and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-[[3-aminopropyl(methyl)sulfamoyl]amino]oxane.

Molecular Properties

Compound Name4-[[3-aminopropyl(methyl)sulfamoyl]amino]oxane
PubChem CID61456869
Molecular FormulaC9H21N3O3S
Molecular Weight251.35 g/mol
Exact Mass251.13
IUPAC Name4-[[3-aminopropyl(methyl)sulfamoyl]amino]oxane
SMILESCN(CCCN)S(=O)(=O)NC1CCOCC1
InChIInChI=1S/C9H21N3O3S/c1-12(6-2-5-10)16(13,14)11-9-3-7-15-8-4-9/h9,11H,2-8,10H2,1H3
InChIKeyYLHOUEKEBTZUHA-UHFFFAOYSA-N
XLogP-0.72
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-aminopropyl(methyl)sulfamoyl]amino]oxane?
The IUPAC name of 4-[[3-aminopropyl(methyl)sulfamoyl]amino]oxane (CID 61456869) is 4-[[3-aminopropyl(methyl)sulfamoyl]amino]oxane.
What is the SMILES notation for 4-[[3-aminopropyl(methyl)sulfamoyl]amino]oxane?
The canonical SMILES for 4-[[3-aminopropyl(methyl)sulfamoyl]amino]oxane is CN(CCCN)S(=O)(=O)NC1CCOCC1.
What is the InChIKey of 4-[[3-aminopropyl(methyl)sulfamoyl]amino]oxane?
The InChIKey is YLHOUEKEBTZUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3S/c1-12(6-2-5-10)16(13,14)11-9-3-7-15-8-4-9/h9,11H,2-8,10H2,1H3.
What are the key properties of 4-[[3-aminopropyl(methyl)sulfamoyl]amino]oxane?
4-[[3-aminopropyl(methyl)sulfamoyl]amino]oxane has a molecular weight of 251.35 g/mol, XLogP of -0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-aminopropyl(methyl)sulfamoyl]amino]oxane is sourced from PubChem (CID 61456869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).