N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanesulfonamide

C13H20N2O4S — CID 106658526

IUPACN-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanesulfonamide
SMILESCC1(C)OCC(Nc2ccccc2NS(C)(=O)=O)CO1
InChIInChI=1S/C13H20N2O4S/c1-13(2)18-8-10(9-19-13)14-11-6-4-5-7-12(11)15-20(3,16)17/h4-7,10,14-15H,8-9H2,1-3H3
InChIKeyFPGYKGMTBUQOMO-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.62
Rot. Bonds4

About N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanesulfonamide

N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanesulfonamide (PubChem CID 106658526) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanesulfonamide
PubChem CID106658526
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanesulfonamide
SMILESCC1(C)OCC(Nc2ccccc2NS(C)(=O)=O)CO1
InChIInChI=1S/C13H20N2O4S/c1-13(2)18-8-10(9-19-13)14-11-6-4-5-7-12(11)15-20(3,16)17/h4-7,10,14-15H,8-9H2,1-3H3
InChIKeyFPGYKGMTBUQOMO-UHFFFAOYSA-N
XLogP1.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanesulfonamide 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

N-[5-[2-(2,6-dimethylmorpholin-4-yl)-4-fluoroanilino]pentyl]propane-2-sulfonamide
CID 70938900
N-[5-[2-(2,6-dimethylmorpholin-4-yl)-4-fluoroanilino]pentyl]-2-methylpropane-2-sulfonamide
CID 70939824
N-[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-fluoroanilino]pentyl]propane-2-sulfonamide
CID 118376793
N-[5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-fluoroanilino]pentyl]-2-methylpropane-2-sulfonamide
CID 118376796
N-[5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-fluorophenyl]methanesulfonamide
CID 106658458
N-(5-fluoro-2-morpholin-4-ylphenyl)methanesulfonamide
CID 113092742
N-(5-fluoro-2-morpholin-4-ylphenyl)ethanesulfonamide
CID 113092743
N-(5-fluoro-2-morpholin-4-ylphenyl)propane-1-sulfonamide
CID 113092744
N-(5-fluoro-2-morpholin-4-ylphenyl)butane-1-sulfonamide
CID 113092745
N-[2-fluoro-6-(propan-2-ylamino)phenyl]morpholine-4-sulfonamide
CID 136518921
N-[2-(2,2,2-trifluoroethylamino)phenyl]morpholine-4-sulfonamide
CID 136525661
4-[N-(2-morpholinoethyl)-N-methylsulphonyl-amino]-aniline
CID 22569549

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanesulfonamide (CID 106658526) is N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanesulfonamide is CC1(C)OCC(Nc2ccccc2NS(C)(=O)=O)CO1.
What is the InChIKey of N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanesulfonamide?
The InChIKey is FPGYKGMTBUQOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-13(2)18-8-10(9-19-13)14-11-6-4-5-7-12(11)15-20(3,16)17/h4-7,10,14-15H,8-9H2,1-3H3.
What are the key properties of N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanesulfonamide?
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 106658526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).