N-(4-ethylsulfonylphenyl)oxan-4-amine

C13H19NO3S — CID 43610393

IUPACN-(4-ethylsulfonylphenyl)oxan-4-amine
SMILESCCS(=O)(=O)c1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C13H19NO3S/c1-2-18(15,16)13-5-3-11(4-6-13)14-12-7-9-17-10-8-12/h3-6,12,14H,2,7-10H2,1H3
InChIKeyMHIUZSYUPXCRHK-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.07
Rot. Bonds4

About N-(4-ethylsulfonylphenyl)oxan-4-amine

N-(4-ethylsulfonylphenyl)oxan-4-amine (PubChem CID 43610393) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)oxan-4-amine.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)oxan-4-amine
PubChem CID43610393
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(4-ethylsulfonylphenyl)oxan-4-amine
SMILESCCS(=O)(=O)c1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C13H19NO3S/c1-2-18(15,16)13-5-3-11(4-6-13)14-12-7-9-17-10-8-12/h3-6,12,14H,2,7-10H2,1H3
InChIKeyMHIUZSYUPXCRHK-UHFFFAOYSA-N
XLogP2.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-ethylsulfonylphenyl)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

N-(4-ethylsulfonylphenyl)oxepan-4-amine
CID 65082034
(4S)-N-(4-ethylsulfonylphenyl)oxepan-4-amine
CID 124512282
N-ethyl-4-(oxan-4-ylamino)benzenesulfonamide
CID 43610408
N-(4-propylsulfonylphenyl)oxolan-3-amine
CID 80712945
N-(4-ethylcyclohexyl)-4-ethylsulfonylaniline
CID 43689650
4-ethylsulfonyl-N-(3-methylcyclobutyl)aniline
CID 113467284
N-(3,4-dimethylcyclohexyl)-4-ethylsulfonylaniline
CID 64731826
N-[4-(oxan-4-ylamino)phenyl]propanamide
CID 43720580
N-(2-ethylsulfonylphenyl)oxan-4-amine
CID 43610395
3-(4-ethylsulfonylanilino)cyclohexane-1-carboxylic acid
CID 63042415
1-ethyl-N-(4-ethylsulfonylphenyl)piperidin-3-amine
CID 61170389
N-(4-methylsulfinylphenyl)oxan-4-amine
CID 115744084

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)oxan-4-amine?
The IUPAC name of N-(4-ethylsulfonylphenyl)oxan-4-amine (CID 43610393) is N-(4-ethylsulfonylphenyl)oxan-4-amine.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)oxan-4-amine?
The canonical SMILES for N-(4-ethylsulfonylphenyl)oxan-4-amine is CCS(=O)(=O)c1ccc(NC2CCOCC2)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)oxan-4-amine?
The InChIKey is MHIUZSYUPXCRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-2-18(15,16)13-5-3-11(4-6-13)14-12-7-9-17-10-8-12/h3-6,12,14H,2,7-10H2,1H3.
What are the key properties of N-(4-ethylsulfonylphenyl)oxan-4-amine?
N-(4-ethylsulfonylphenyl)oxan-4-amine has a molecular weight of 269.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)oxan-4-amine is sourced from PubChem (CID 43610393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).