1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine

C14H17NO2S2 — CID 43182189

IUPAC1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCC(NCc1cccs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H17NO2S2/c1-11(15-10-13-4-3-9-18-13)12-5-7-14(8-6-12)19(2,16)17/h3-9,11,15H,10H2,1-2H3
InChIKeySQYBVUUPGZUEKY-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.00
Rot. Bonds5

About 1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine

1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 43182189) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID43182189
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC Name1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
SMILESCC(NCc1cccs1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H17NO2S2/c1-11(15-10-13-4-3-9-18-13)12-5-7-14(8-6-12)19(2,16)17/h3-9,11,15H,10H2,1-2H3
InChIKeySQYBVUUPGZUEKY-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide
CID 43763574
1-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398234
N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine
CID 16774640
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
(1R)-1-(4-methylsulfonylphenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 93384250
(1S)-1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28649499
N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 39976465
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42945980
3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47154675
1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43204723
(1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28668693
2,2-dimethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]ethanamine
CID 60817783

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine (CID 43182189) is 1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine is CC(NCc1cccs1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is SQYBVUUPGZUEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-11(15-10-13-4-3-9-18-13)12-5-7-14(8-6-12)19(2,16)17/h3-9,11,15H,10H2,1-2H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine?
1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 295.43 g/mol, XLogP of 3.00, 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-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 43182189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).