1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine

C15H19NO2S2 — CID 81398234

IUPAC1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
SMILESCC(N[C@@H](C)c1cccs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H19NO2S2/c1-11(16-12(2)15-5-4-10-19-15)13-6-8-14(9-7-13)20(3,17)18/h4-12,16H,1-3H3/t11?,12-/m0/s1
InChIKeyXSOWFJAPNIGGBO-KIYNQFGBSA-N
MW309.46 g/mol
LogP3.56
Rot. Bonds5

About 1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine

1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine (PubChem CID 81398234) has the molecular formula C15H19NO2S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
PubChem CID81398234
Molecular FormulaC15H19NO2S2
Molecular Weight309.46 g/mol
Exact Mass309.09
IUPAC Name1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
SMILESCC(N[C@@H](C)c1cccs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H19NO2S2/c1-11(16-12(2)15-5-4-10-19-15)13-6-8-14(9-7-13)20(3,17)18/h4-12,16H,1-3H3/t11?,12-/m0/s1
InChIKeyXSOWFJAPNIGGBO-KIYNQFGBSA-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-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine
CID 62841313
1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398579
1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43182189
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81409318
3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide
CID 81398945
1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398434
1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398257
1-(4-methyl-3-nitrophenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398487
N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46616393
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46566188
4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide
CID 46564732
2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide
CID 51072491

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine?
The IUPAC name of 1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine (CID 81398234) is 1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine is CC(N[C@@H](C)c1cccs1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine?
The InChIKey is XSOWFJAPNIGGBO-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H19NO2S2/c1-11(16-12(2)15-5-4-10-19-15)13-6-8-14(9-7-13)20(3,17)18/h4-12,16H,1-3H3/t11?,12-/m0/s1.
What are the key properties of 1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine?
1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-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-[(1S)-1-thiophen-2-ylethyl]ethanamine is sourced from PubChem (CID 81398234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).