4-(aminomethyl)-N-(cyclopropylsulfamoyl)oxan-4-amine

C9H19N3O3S — CID 106297749

IUPAC4-(aminomethyl)-N-(cyclopropylsulfamoyl)oxan-4-amine
SMILESNCC1(NS(=O)(=O)NC2CC2)CCOCC1
InChIInChI=1S/C9H19N3O3S/c10-7-9(3-5-15-6-4-9)12-16(13,14)11-8-1-2-8/h8,11-12H,1-7,10H2
InChIKeyPQLSCZBWRZUQPT-UHFFFAOYSA-N
MW249.34 g/mol
LogP-0.92
Rot. Bonds5

About 4-(aminomethyl)-N-(cyclopropylsulfamoyl)oxan-4-amine

4-(aminomethyl)-N-(cyclopropylsulfamoyl)oxan-4-amine (PubChem CID 106297749) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(cyclopropylsulfamoyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(cyclopropylsulfamoyl)oxan-4-amine
PubChem CID106297749
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name4-(aminomethyl)-N-(cyclopropylsulfamoyl)oxan-4-amine
SMILESNCC1(NS(=O)(=O)NC2CC2)CCOCC1
InChIInChI=1S/C9H19N3O3S/c10-7-9(3-5-15-6-4-9)12-16(13,14)11-8-1-2-8/h8,11-12H,1-7,10H2
InChIKeyPQLSCZBWRZUQPT-UHFFFAOYSA-N
XLogP-0.92
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-(cyclopropylsulfamoyl)oxan-4-amine 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)-N-(2,2,2-trifluoroethylsulfamoyl)oxan-4-amine
CID 114170108
4-(aminomethyl)-N-(2-methoxyethylsulfamoyl)oxan-4-amine
CID 106297703
4-(aminomethyl)-N-(propan-2-ylsulfamoyl)oxan-4-amine
CID 106297746
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
4-(aminomethyl)-N-(propylsulfamoyl)oxan-4-amine
CID 106297859
4-(Aminomethyl)-4-(dimethylsulfamoylamino)oxane
CID 106297876
N-[4-(aminomethyl)oxan-4-yl]cyclopropanesulfonamide
CID 106297878
4-(Aminomethyl)-4-(sulfamoylamino)oxane
CID 106297885
4-(aminomethyl)-N-(2-methylpropylsulfamoyl)oxan-4-amine
CID 114170084
4-(Aminomethyl)-4-(diethylsulfamoylamino)oxane
CID 114170091

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(cyclopropylsulfamoyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(cyclopropylsulfamoyl)oxan-4-amine (CID 106297749) is 4-(aminomethyl)-N-(cyclopropylsulfamoyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(cyclopropylsulfamoyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(cyclopropylsulfamoyl)oxan-4-amine is NCC1(NS(=O)(=O)NC2CC2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(cyclopropylsulfamoyl)oxan-4-amine?
The InChIKey is PQLSCZBWRZUQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c10-7-9(3-5-15-6-4-9)12-16(13,14)11-8-1-2-8/h8,11-12H,1-7,10H2.
What are the key properties of 4-(aminomethyl)-N-(cyclopropylsulfamoyl)oxan-4-amine?
4-(aminomethyl)-N-(cyclopropylsulfamoyl)oxan-4-amine has a molecular weight of 249.34 g/mol, XLogP of -0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(cyclopropylsulfamoyl)oxan-4-amine is sourced from PubChem (CID 106297749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).