2-[4-[2-(2-methylsulfonylethylsulfinyl)ethoxy]phenyl]ethanamine

C13H21NO4S2 — CID 81328291

IUPAC2-[4-[2-(2-methylsulfonylethylsulfinyl)ethoxy]phenyl]ethanamine
SMILESCS(=O)(=O)CCS(=O)CCOc1ccc(CCN)cc1
InChIInChI=1S/C13H21NO4S2/c1-20(16,17)11-10-19(15)9-8-18-13-4-2-12(3-5-13)6-7-14/h2-5H,6-11,14H2,1H3
InChIKeySQTLXIUGAPFFRO-UHFFFAOYSA-N
MW319.45 g/mol
LogP0.36
Rot. Bonds9

About 2-[4-[2-(2-methylsulfonylethylsulfinyl)ethoxy]phenyl]ethanamine

2-[4-[2-(2-methylsulfonylethylsulfinyl)ethoxy]phenyl]ethanamine (PubChem CID 81328291) has the molecular formula C13H21NO4S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[4-[2-(2-methylsulfonylethylsulfinyl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(2-methylsulfonylethylsulfinyl)ethoxy]phenyl]ethanamine
PubChem CID81328291
Molecular FormulaC13H21NO4S2
Molecular Weight319.45 g/mol
Exact Mass319.09
IUPAC Name2-[4-[2-(2-methylsulfonylethylsulfinyl)ethoxy]phenyl]ethanamine
SMILESCS(=O)(=O)CCS(=O)CCOc1ccc(CCN)cc1
InChIInChI=1S/C13H21NO4S2/c1-20(16,17)11-10-19(15)9-8-18-13-4-2-12(3-5-13)6-7-14/h2-5H,6-11,14H2,1H3
InChIKeySQTLXIUGAPFFRO-UHFFFAOYSA-N
XLogP0.36
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methylsulfonylpropoxy)phenyl]ethanamine
CID 63190771
2-[4-(2-tert-butylsulfinylethoxy)phenyl]ethanamine
CID 81329447
2-[4-[2-(4-methylphenyl)sulfinylethoxy]phenyl]ethanamine
CID 81319743
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
2-[4-(2-butan-2-ylsulfonylethoxy)phenyl]ethanamine
CID 64698428
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
[4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol
CID 61229719
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360
2-[4-(3-diethoxyphosphorylpropoxy)phenyl]ethanamine
CID 86678288
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
5-[4-(2-aminoethyl)phenoxy]pentanamide
CID 114281504

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methylsulfonylethylsulfinyl)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[2-(2-methylsulfonylethylsulfinyl)ethoxy]phenyl]ethanamine (CID 81328291) is 2-[4-[2-(2-methylsulfonylethylsulfinyl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-(2-methylsulfonylethylsulfinyl)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[2-(2-methylsulfonylethylsulfinyl)ethoxy]phenyl]ethanamine is CS(=O)(=O)CCS(=O)CCOc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-[2-(2-methylsulfonylethylsulfinyl)ethoxy]phenyl]ethanamine?
The InChIKey is SQTLXIUGAPFFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S2/c1-20(16,17)11-10-19(15)9-8-18-13-4-2-12(3-5-13)6-7-14/h2-5H,6-11,14H2,1H3.
What are the key properties of 2-[4-[2-(2-methylsulfonylethylsulfinyl)ethoxy]phenyl]ethanamine?
2-[4-[2-(2-methylsulfonylethylsulfinyl)ethoxy]phenyl]ethanamine has a molecular weight of 319.45 g/mol, XLogP of 0.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methylsulfonylethylsulfinyl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 81328291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).