4-(aminomethyl)-4-(sulfamoylamino)oxane

C6H15N3O3S — CID 106297885

IUPAC4-(aminomethyl)-4-(sulfamoylamino)oxane
SMILESNCC1(NS(N)(=O)=O)CCOCC1
InChIInChI=1S/C6H15N3O3S/c7-5-6(9-13(8,10)11)1-3-12-4-2-6/h9H,1-5,7H2,(H2,8,10,11)
InChIKeyMBWRQQITGKEBQY-UHFFFAOYSA-N
MW209.27 g/mol
LogP-1.71
Rot. Bonds3

About 4-(aminomethyl)-4-(sulfamoylamino)oxane

4-(aminomethyl)-4-(sulfamoylamino)oxane (PubChem CID 106297885) has the molecular formula C6H15N3O3S and a molecular weight of 209.27 g/mol. Its IUPAC name is 4-(aminomethyl)-4-(sulfamoylamino)oxane.

Molecular Properties

Compound Name4-(aminomethyl)-4-(sulfamoylamino)oxane
PubChem CID106297885
Molecular FormulaC6H15N3O3S
Molecular Weight209.27 g/mol
Exact Mass209.08
IUPAC Name4-(aminomethyl)-4-(sulfamoylamino)oxane
SMILESNCC1(NS(N)(=O)=O)CCOCC1
InChIInChI=1S/C6H15N3O3S/c7-5-6(9-13(8,10)11)1-3-12-4-2-6/h9H,1-5,7H2,(H2,8,10,11)
InChIKeyMBWRQQITGKEBQY-UHFFFAOYSA-N
XLogP-1.71
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-4-(sulfamoylamino)oxane with MolForge

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

Launch Full Analysis

Related Compounds

4-(Aminomethyl)oxan-4-amine
CID 43608727
4-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine
CID 114170108
4-[(Sulfamoylamino)methyl]oxane
CID 112688037
4-(Aminomethyl)oxan-4-amine;hydrochloride
CID 118166304
4-[1-(Sulfamoylamino)ethyl]oxane
CID 103768185
4-(aminomethyl)-N-(2-methoxyethylsulfamoyl)oxan-4-amine
CID 106297703
4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine
CID 106297746
4-(aminomethyl)-N-(cyclopropylsulfamoyl)oxan-4-amine
CID 106297749
4-(aminomethyl)-N-(ethylsulfamoyl)oxan-4-amine
CID 106297771
4-(aminomethyl)-N-(methylsulfamoyl)oxan-4-amine
CID 106297780
4-(aminomethyl)-N-(tert-butylsulfamoyl)oxan-4-amine
CID 106297783
N-[4-(aminomethyl)oxan-4-yl]methanesulfonamide
CID 106297838

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-(sulfamoylamino)oxane?
The IUPAC name of 4-(aminomethyl)-4-(sulfamoylamino)oxane (CID 106297885) is 4-(aminomethyl)-4-(sulfamoylamino)oxane.
What is the SMILES notation for 4-(aminomethyl)-4-(sulfamoylamino)oxane?
The canonical SMILES for 4-(aminomethyl)-4-(sulfamoylamino)oxane is NCC1(NS(N)(=O)=O)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-4-(sulfamoylamino)oxane?
The InChIKey is MBWRQQITGKEBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O3S/c7-5-6(9-13(8,10)11)1-3-12-4-2-6/h9H,1-5,7H2,(H2,8,10,11).
What are the key properties of 4-(aminomethyl)-4-(sulfamoylamino)oxane?
4-(aminomethyl)-4-(sulfamoylamino)oxane has a molecular weight of 209.27 g/mol, XLogP of -1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-(sulfamoylamino)oxane is sourced from PubChem (CID 106297885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).