[[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclobutane

C9H21N3O2S — CID 61456324

IUPAC[[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclobutane
SMILESCN(CCCN)S(=O)(=O)NCC1CCC1
InChIInChI=1S/C9H21N3O2S/c1-12(7-3-6-10)15(13,14)11-8-9-4-2-5-9/h9,11H,2-8,10H2,1H3
InChIKeyZJFBGCMCZIYNKU-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.10
Rot. Bonds7

About [[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclobutane

[[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclobutane (PubChem CID 61456324) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is [[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclobutane.

Molecular Properties

Compound Name[[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclobutane
PubChem CID61456324
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name[[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclobutane
SMILESCN(CCCN)S(=O)(=O)NCC1CCC1
InChIInChI=1S/C9H21N3O2S/c1-12(7-3-6-10)15(13,14)11-8-9-4-2-5-9/h9,11H,2-8,10H2,1H3
InChIKeyZJFBGCMCZIYNKU-UHFFFAOYSA-N
XLogP-0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclobutane?
The IUPAC name of [[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclobutane (CID 61456324) is [[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclobutane.
What is the SMILES notation for [[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclobutane?
The canonical SMILES for [[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclobutane is CN(CCCN)S(=O)(=O)NCC1CCC1.
What is the InChIKey of [[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclobutane?
The InChIKey is ZJFBGCMCZIYNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-12(7-3-6-10)15(13,14)11-8-9-4-2-5-9/h9,11H,2-8,10H2,1H3.
What are the key properties of [[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclobutane?
[[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclobutane has a molecular weight of 235.35 g/mol, XLogP of -0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-aminopropyl(methyl)sulfamoyl]amino]methylcyclobutane is sourced from PubChem (CID 61456324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).