3-(4-ethylsulfonylphenoxy)cyclopentan-1-amine

C13H19NO3S — CID 79466034

IUPAC3-(4-ethylsulfonylphenoxy)cyclopentan-1-amine
SMILESCCS(=O)(=O)c1ccc(OC2CCC(N)C2)cc1
InChIInChI=1S/C13H19NO3S/c1-2-18(15,16)13-7-5-11(6-8-13)17-12-4-3-10(14)9-12/h5-8,10,12H,2-4,9,14H2,1H3
InChIKeyIXCXLCVEVCOKAN-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.74
Rot. Bonds4

About 3-(4-ethylsulfonylphenoxy)cyclopentan-1-amine

3-(4-ethylsulfonylphenoxy)cyclopentan-1-amine (PubChem CID 79466034) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-(4-ethylsulfonylphenoxy)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-ethylsulfonylphenoxy)cyclopentan-1-amine
PubChem CID79466034
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name3-(4-ethylsulfonylphenoxy)cyclopentan-1-amine
SMILESCCS(=O)(=O)c1ccc(OC2CCC(N)C2)cc1
InChIInChI=1S/C13H19NO3S/c1-2-18(15,16)13-7-5-11(6-8-13)17-12-4-3-10(14)9-12/h5-8,10,12H,2-4,9,14H2,1H3
InChIKeyIXCXLCVEVCOKAN-UHFFFAOYSA-N
XLogP1.74
TPSA69.39 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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-4-ethoxybenzenesulfonamide
CID 975925
4-ethoxy-N-[2-(phenylthio)ethyl]benzenesulfonamide
CID 2197793
N-cyclopentyl-4-ethoxybenzenesulfonamide
CID 893506
(E)-3-fluoro-2-((4-((3-methoxy-2-(methoxymethyl)propyl)sulfonyl) phenoxy)methyl)prop-2-en-1-amine
CID 156340044
(R,E)-3-fluoro-2-((4-(((tetrahydrofuran-2-yl)methyl)sulfonyl)phenoxy)methyl) prop-2-en-1-amine
CID 156340046
(S,E)-3-fluoro-2-((4-(((tetrahydrofuran-3-yl)methyl)sulfonyl)phenoxy)methyl) prop-2-en-1-amine
CID 156340056
(R,E)-3-fluoro-2-((4-(((tetrahydrofuran-3-yl)methyl)sulfonyl)phenoxy)methyl) prop-2-en-1-amine
CID 156340058
(E)-3-fluoro-2-((4-((methoxymethyl)sulfonyl)phenoxy) methyl)prop-2-en-1-amine
CID 156362714
(S,E)-3-fluoro-2-((4-(((tetrahydrofuran-2-yl)methyl)sulfonyl)phenoxy)methyl) prop-2-en-1-amine
CID 156362870
1-(2-Aminoethoxy)-4-methanesulfonylbenzene
CID 43806902
N-[2-(4-methylsulfanylphenoxy)cyclohexyl]benzenesulfonamide
CID 2913687
2-[(4-Methoxyphenyl)sulfonyl]ethanamine
CID 16644604

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylsulfonylphenoxy)cyclopentan-1-amine?
The IUPAC name of 3-(4-ethylsulfonylphenoxy)cyclopentan-1-amine (CID 79466034) is 3-(4-ethylsulfonylphenoxy)cyclopentan-1-amine.
What is the SMILES notation for 3-(4-ethylsulfonylphenoxy)cyclopentan-1-amine?
The canonical SMILES for 3-(4-ethylsulfonylphenoxy)cyclopentan-1-amine is CCS(=O)(=O)c1ccc(OC2CCC(N)C2)cc1.
What is the InChIKey of 3-(4-ethylsulfonylphenoxy)cyclopentan-1-amine?
The InChIKey is IXCXLCVEVCOKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-2-18(15,16)13-7-5-11(6-8-13)17-12-4-3-10(14)9-12/h5-8,10,12H,2-4,9,14H2,1H3.
What are the key properties of 3-(4-ethylsulfonylphenoxy)cyclopentan-1-amine?
3-(4-ethylsulfonylphenoxy)cyclopentan-1-amine has a molecular weight of 269.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylsulfonylphenoxy)cyclopentan-1-amine is sourced from PubChem (CID 79466034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).