2-(4-methylphenyl)sulfinylethanamine;hydrochloride

C9H14ClNOS — CID 146049473

IUPAC2-(4-methylphenyl)sulfinylethanamine;hydrochloride
SMILESCc1ccc(S(=O)CCN)cc1.Cl
InChIInChI=1S/C9H13NOS.ClH/c1-8-2-4-9(5-3-8)12(11)7-6-10;/h2-5H,6-7,10H2,1H3;1H
InChIKeyXEJYTGLZDGRSDG-UHFFFAOYSA-N
MW219.74 g/mol
LogP1.48
Rot. Bonds3

About 2-(4-methylphenyl)sulfinylethanamine;hydrochloride

2-(4-methylphenyl)sulfinylethanamine;hydrochloride (PubChem CID 146049473) has the molecular formula C9H14ClNOS and a molecular weight of 219.74 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfinylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfinylethanamine;hydrochloride
PubChem CID146049473
Molecular FormulaC9H14ClNOS
Molecular Weight219.74 g/mol
Exact Mass219.05
IUPAC Name2-(4-methylphenyl)sulfinylethanamine;hydrochloride
SMILESCc1ccc(S(=O)CCN)cc1.Cl
InChIInChI=1S/C9H13NOS.ClH/c1-8-2-4-9(5-3-8)12(11)7-6-10;/h2-5H,6-7,10H2,1H3;1H
InChIKeyXEJYTGLZDGRSDG-UHFFFAOYSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfinylethanamine;hydrochloride?
The IUPAC name of 2-(4-methylphenyl)sulfinylethanamine;hydrochloride (CID 146049473) is 2-(4-methylphenyl)sulfinylethanamine;hydrochloride.
What is the SMILES notation for 2-(4-methylphenyl)sulfinylethanamine;hydrochloride?
The canonical SMILES for 2-(4-methylphenyl)sulfinylethanamine;hydrochloride is Cc1ccc(S(=O)CCN)cc1.Cl.
What is the InChIKey of 2-(4-methylphenyl)sulfinylethanamine;hydrochloride?
The InChIKey is XEJYTGLZDGRSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS.ClH/c1-8-2-4-9(5-3-8)12(11)7-6-10;/h2-5H,6-7,10H2,1H3;1H.
What are the key properties of 2-(4-methylphenyl)sulfinylethanamine;hydrochloride?
2-(4-methylphenyl)sulfinylethanamine;hydrochloride has a molecular weight of 219.74 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfinylethanamine;hydrochloride is sourced from PubChem (CID 146049473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).