2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanamine

C15H19NO2S2 — CID 115842561

IUPAC2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanamine
SMILESCCc1ccc(CC(N)c2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C15H19NO2S2/c1-3-12-6-7-13(19-12)10-15(16)11-4-8-14(9-5-11)20(2,17)18/h4-9,15H,3,10,16H2,1-2H3
InChIKeyPXBVIHVMQGUIDO-UHFFFAOYSA-N
MW309.46 g/mol
LogP2.96
Rot. Bonds5

About 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanamine

2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanamine (PubChem CID 115842561) has the molecular formula C15H19NO2S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanamine
PubChem CID115842561
Molecular FormulaC15H19NO2S2
Molecular Weight309.46 g/mol
Exact Mass309.09
IUPAC Name2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanamine
SMILESCCc1ccc(CC(N)c2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C15H19NO2S2/c1-3-12-6-7-13(19-12)10-15(16)11-4-8-14(9-5-11)20(2,17)18/h4-9,15H,3,10,16H2,1-2H3
InChIKeyPXBVIHVMQGUIDO-UHFFFAOYSA-N
XLogP2.96
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414215
(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 162344090
2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 114967807
1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine
CID 115842626
2-(2-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanamine
CID 115796252
2-(5-ethylthiophen-2-yl)-1-naphthalen-2-ylethanamine
CID 62716426
(2R)-2-amino-2-(4-methylsulfonylphenyl)ethanol;hydrochloride
CID 142503487
(1S)-3-methyl-1-(4-methylsulfonylphenyl)butan-1-amine
CID 96590996
1-(4-methylsulfonylphenyl)pentan-1-amine;hydrochloride
CID 162344236
1-(4-methylsulfonylphenyl)hexan-1-amine
CID 115837394
N-[1-(5-ethylthiophen-2-yl)ethyl]-4-methylsulfonylaniline
CID 61335118
(1R)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propan-1-amine
CID 171198392

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanamine?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanamine (CID 115842561) is 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanamine is CCc1ccc(CC(N)c2ccc(S(C)(=O)=O)cc2)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanamine?
The InChIKey is PXBVIHVMQGUIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S2/c1-3-12-6-7-13(19-12)10-15(16)11-4-8-14(9-5-11)20(2,17)18/h4-9,15H,3,10,16H2,1-2H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanamine?
2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanamine has a molecular weight of 309.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 115842561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).