1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine

C13H21NO4S — CID 81189444

IUPAC1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine
SMILESCCOc1ccccc1OCCS(=O)(=O)CC(C)N
InChIInChI=1S/C13H21NO4S/c1-3-17-12-6-4-5-7-13(12)18-8-9-19(15,16)10-11(2)14/h4-7,11H,3,8-10,14H2,1-2H3
InChIKeyZCQZHCPLDBXIRU-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.23
Rot. Bonds8

About 1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine

1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine (PubChem CID 81189444) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine
PubChem CID81189444
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine
SMILESCCOc1ccccc1OCCS(=O)(=O)CC(C)N
InChIInChI=1S/C13H21NO4S/c1-3-17-12-6-4-5-7-13(12)18-8-9-19(15,16)10-11(2)14/h4-7,11H,3,8-10,14H2,1-2H3
InChIKeyZCQZHCPLDBXIRU-UHFFFAOYSA-N
XLogP1.23
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[2-[2-(2-methylbutylsulfonyl)ethoxy]phenyl]ethanone
CID 103747724
2-(2-propylsulfonylethoxy)phenol
CID 106726690
1-ethyl-2-(2-propylsulfonylethoxy)benzene
CID 106732626
(1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine
CID 63368402
ethyl 2-[2-(2-aminophenoxy)ethylsulfonyl]acetate
CID 43618414
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine?
The IUPAC name of 1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine (CID 81189444) is 1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine?
The canonical SMILES for 1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine is CCOc1ccccc1OCCS(=O)(=O)CC(C)N.
What is the InChIKey of 1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine?
The InChIKey is ZCQZHCPLDBXIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-3-17-12-6-4-5-7-13(12)18-8-9-19(15,16)10-11(2)14/h4-7,11H,3,8-10,14H2,1-2H3.
What are the key properties of 1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine?
1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine has a molecular weight of 287.38 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine is sourced from PubChem (CID 81189444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).