(2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine

C16H19NO2S — CID 9161851

IUPAC(2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine
SMILESCc1ccc(S(=O)(=O)[C@H](CN)c2cccc(C)c2)cc1
InChIInChI=1S/C16H19NO2S/c1-12-6-8-15(9-7-12)20(18,19)16(11-17)14-5-3-4-13(2)10-14/h3-10,16H,11,17H2,1-2H3/t16-/m1/s1
InChIKeyHETUBJMIZQCKES-MRXNPFEDSA-N
MW289.40 g/mol
LogP2.78
Rot. Bonds4

About (2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine

(2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine (PubChem CID 9161851) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is (2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine.

Molecular Properties

Compound Name(2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine
PubChem CID9161851
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name(2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine
SMILESCc1ccc(S(=O)(=O)[C@H](CN)c2cccc(C)c2)cc1
InChIInChI=1S/C16H19NO2S/c1-12-6-8-15(9-7-12)20(18,19)16(11-17)14-5-3-4-13(2)10-14/h3-10,16H,11,17H2,1-2H3/t16-/m1/s1
InChIKeyHETUBJMIZQCKES-MRXNPFEDSA-N
XLogP2.78
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 16642237
2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine
CID 16641343
(2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine
CID 9161877
[(2R)-2-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium
CID 9161837
[(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium
CID 9161856
(2R)-2-(benzenesulfonyl)-2-phenylethanamine
CID 9161755
(2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167384
(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167401
2-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 16642213
(2S)-2-(4-fluorophenyl)sulfonyl-2-phenylethanamine
CID 9161758
(2R)-2-(4-chlorophenyl)sulfonyl-2-phenylethanamine
CID 9161767
(2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 9168137

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine?
The IUPAC name of (2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine (CID 9161851) is (2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine.
What is the SMILES notation for (2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine?
The canonical SMILES for (2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine is Cc1ccc(S(=O)(=O)[C@H](CN)c2cccc(C)c2)cc1.
What is the InChIKey of (2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine?
The InChIKey is HETUBJMIZQCKES-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12-6-8-15(9-7-12)20(18,19)16(11-17)14-5-3-4-13(2)10-14/h3-10,16H,11,17H2,1-2H3/t16-/m1/s1.
What are the key properties of (2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine?
(2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine has a molecular weight of 289.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine is sourced from PubChem (CID 9161851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).