(1R)-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride

C9H14ClNO2S — CID 71757377

IUPAC(1R)-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride
SMILESC[C@@H](N)c1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C9H13NO2S.ClH/c1-7(10)8-3-5-9(6-4-8)13(2,11)12;/h3-7H,10H2,1-2H3;1H/t7-;/m1./s1
InChIKeyJAECXGZNWPVNEU-OGFXRTJISA-N
MW235.74 g/mol
LogP1.53
Rot. Bonds2

About (1R)-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride

(1R)-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride (PubChem CID 71757377) has the molecular formula C9H14ClNO2S and a molecular weight of 235.74 g/mol. Its IUPAC name is (1R)-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride
PubChem CID71757377
Molecular FormulaC9H14ClNO2S
Molecular Weight235.74 g/mol
Exact Mass235.04
IUPAC Name(1R)-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride
SMILESC[C@@H](N)c1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C9H13NO2S.ClH/c1-7(10)8-3-5-9(6-4-8)13(2,11)12;/h3-7H,10H2,1-2H3;1H/t7-;/m1./s1
InChIKeyJAECXGZNWPVNEU-OGFXRTJISA-N
XLogP1.53
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.74
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride (CID 71757377) is (1R)-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride is C[C@@H](N)c1ccc(S(C)(=O)=O)cc1.Cl.
What is the InChIKey of (1R)-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride?
The InChIKey is JAECXGZNWPVNEU-OGFXRTJISA-N. The full InChI is InChI=1S/C9H13NO2S.ClH/c1-7(10)8-3-5-9(6-4-8)13(2,11)12;/h3-7H,10H2,1-2H3;1H/t7-;/m1./s1.
What are the key properties of (1R)-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride?
(1R)-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride has a molecular weight of 235.74 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methylsulfonylphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 71757377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).