N-(2-ethylsulfonylphenyl)oxan-4-amine

C13H19NO3S — CID 43610395

IUPACN-(2-ethylsulfonylphenyl)oxan-4-amine
SMILESCCS(=O)(=O)c1ccccc1NC1CCOCC1
InChIInChI=1S/C13H19NO3S/c1-2-18(15,16)13-6-4-3-5-12(13)14-11-7-9-17-10-8-11/h3-6,11,14H,2,7-10H2,1H3
InChIKeyYRBBTRRPQGOWSV-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.07
Rot. Bonds4

About N-(2-ethylsulfonylphenyl)oxan-4-amine

N-(2-ethylsulfonylphenyl)oxan-4-amine (PubChem CID 43610395) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2-ethylsulfonylphenyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylphenyl)oxan-4-amine
PubChem CID43610395
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(2-ethylsulfonylphenyl)oxan-4-amine
SMILESCCS(=O)(=O)c1ccccc1NC1CCOCC1
InChIInChI=1S/C13H19NO3S/c1-2-18(15,16)13-6-4-3-5-12(13)14-11-7-9-17-10-8-11/h3-6,11,14H,2,7-10H2,1H3
InChIKeyYRBBTRRPQGOWSV-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-(2-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-(2-ethylsulfonylphenyl)cycloheptanamine
CID 43453589
2-ethylsulfonyl-N-(oxan-4-ylmethyl)aniline
CID 62385978
N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 43738170
N-(3-ethylcyclopentyl)-2-ethylsulfonylaniline
CID 64500030
N-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine
CID 61465017
(5R,9R)-N-(2-ethylsulfonylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 125138409
2-(oxolan-3-ylamino)-N-propylbenzenesulfonamide
CID 80713071
N-(4-chlorocyclohexyl)-2-propylsulfonylaniline
CID 65027980
cis-(1S,3R)-3-N-(2-ethylsulfonylphenyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 99858148
N-(4-ethylsulfonylphenyl)oxan-4-amine
CID 43610393
N-(2-ethylsulfonylphenyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863699
2-(cyclopropylamino)-N-methylbenzenesulfonamide
CID 43454291

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylphenyl)oxan-4-amine?
The IUPAC name of N-(2-ethylsulfonylphenyl)oxan-4-amine (CID 43610395) is N-(2-ethylsulfonylphenyl)oxan-4-amine.
What is the SMILES notation for N-(2-ethylsulfonylphenyl)oxan-4-amine?
The canonical SMILES for N-(2-ethylsulfonylphenyl)oxan-4-amine is CCS(=O)(=O)c1ccccc1NC1CCOCC1.
What is the InChIKey of N-(2-ethylsulfonylphenyl)oxan-4-amine?
The InChIKey is YRBBTRRPQGOWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-2-18(15,16)13-6-4-3-5-12(13)14-11-7-9-17-10-8-11/h3-6,11,14H,2,7-10H2,1H3.
What are the key properties of N-(2-ethylsulfonylphenyl)oxan-4-amine?
N-(2-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-(2-ethylsulfonylphenyl)oxan-4-amine is sourced from PubChem (CID 43610395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).