1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine

C15H19NO2S2 — CID 62841313

IUPAC1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine
SMILESCC(NC(C)c1ccsc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H19NO2S2/c1-11(16-12(2)14-8-9-19-10-14)13-4-6-15(7-5-13)20(3,17)18/h4-12,16H,1-3H3
InChIKeyAYSIAWCQABBPDO-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.56
Rot. Bonds5

About 1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine

1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine (PubChem CID 62841313) has the molecular formula C15H19NO2S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine
PubChem CID62841313
Molecular FormulaC15H19NO2S2
Molecular Weight309.46 g/mol
Exact Mass309.09
IUPAC Name1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine
SMILESCC(NC(C)c1ccsc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H19NO2S2/c1-11(16-12(2)14-8-9-19-10-14)13-4-6-15(7-5-13)20(3,17)18/h4-12,16H,1-3H3
InChIKeyAYSIAWCQABBPDO-UHFFFAOYSA-N
XLogP3.56
TPSA46.17 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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398234
4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844597
1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine
CID 55122255
5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 62090338
N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
CID 64586301
(1R)-1-[4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanamine
CID 78939076
1-[1-(4-methylsulfonylphenyl)ethyl]-3-(1-thiophen-3-ylpropan-2-yl)urea
CID 51124447
4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844441
1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398257
4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 55130085
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine?
The IUPAC name of 1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine (CID 62841313) is 1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine is CC(NC(C)c1ccsc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine?
The InChIKey is AYSIAWCQABBPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S2/c1-11(16-12(2)14-8-9-19-10-14)13-4-6-15(7-5-13)20(3,17)18/h4-12,16H,1-3H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine?
1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine has a molecular weight of 309.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine is sourced from PubChem (CID 62841313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).