3-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide

C15H24N2O3S — CID 103911153

IUPAC3-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide
SMILESCC(NC(C)C1CCOCC1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H24N2O3S/c1-11(13-6-8-20-9-7-13)17-12(2)14-4-3-5-15(10-14)21(16,18)19/h3-5,10-13,17H,6-9H2,1-2H3,(H2,16,18,19)
InChIKeyZDSLIJDDQFKTSG-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.80
Rot. Bonds5

About 3-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide

3-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide (PubChem CID 103911153) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide
PubChem CID103911153
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide
SMILESCC(NC(C)C1CCOCC1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H24N2O3S/c1-11(13-6-8-20-9-7-13)17-12(2)14-4-3-5-15(10-14)21(16,18)19/h3-5,10-13,17H,6-9H2,1-2H3,(H2,16,18,19)
InChIKeyZDSLIJDDQFKTSG-UHFFFAOYSA-N
XLogP1.80
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide 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

3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide
CID 43776526
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259
3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol
CID 99629144
3-[1-(cyclobutylamino)ethyl]benzenesulfonamide
CID 62414933
3-[1-(cyclopentylamino)ethyl]benzenesulfonamide
CID 43756468
3-[1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]benzenesulfonamide
CID 81402634
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 113483469
3-[1-(cyclopropylsulfamoylamino)ethyl]benzenesulfonamide
CID 104538405
3-[1-(1-methylsulfonylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 64629789
N-[1-(3-sulfamoylphenyl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79593537
3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide
CID 81398945

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide (CID 103911153) is 3-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide is CC(NC(C)C1CCOCC1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide?
The InChIKey is ZDSLIJDDQFKTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(13-6-8-20-9-7-13)17-12(2)14-4-3-5-15(10-14)21(16,18)19/h3-5,10-13,17H,6-9H2,1-2H3,(H2,16,18,19).
What are the key properties of 3-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide?
3-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 103911153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).