2-(4-methoxyphenyl)sulfonylethanamine

C9H13NO3S — CID 16644604

IUPAC2-(4-methoxyphenyl)sulfonylethanamine
SMILESCOc1ccc(S(=O)(=O)CCN)cc1
InChIInChI=1S/C9H13NO3S/c1-13-8-2-4-9(5-3-8)14(11,12)7-6-10/h2-5H,6-7,10H2,1H3
InChIKeyQFEHAAZKPDZYLG-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.43
Rot. Bonds4

About 2-(4-methoxyphenyl)sulfonylethanamine

2-(4-methoxyphenyl)sulfonylethanamine (PubChem CID 16644604) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfonylethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfonylethanamine
PubChem CID16644604
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name2-(4-methoxyphenyl)sulfonylethanamine
SMILESCOc1ccc(S(=O)(=O)CCN)cc1
InChIInChI=1S/C9H13NO3S/c1-13-8-2-4-9(5-3-8)14(11,12)7-6-10/h2-5H,6-7,10H2,1H3
InChIKeyQFEHAAZKPDZYLG-UHFFFAOYSA-N
XLogP0.43
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfonylethanamine?
The IUPAC name of 2-(4-methoxyphenyl)sulfonylethanamine (CID 16644604) is 2-(4-methoxyphenyl)sulfonylethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfonylethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)sulfonylethanamine is COc1ccc(S(=O)(=O)CCN)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfonylethanamine?
The InChIKey is QFEHAAZKPDZYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-13-8-2-4-9(5-3-8)14(11,12)7-6-10/h2-5H,6-7,10H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)sulfonylethanamine?
2-(4-methoxyphenyl)sulfonylethanamine has a molecular weight of 215.27 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfonylethanamine is sourced from PubChem (CID 16644604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).