1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine

C14H17NO3S2 — CID 64645996

IUPAC1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine
SMILESCNC(CS(=O)(=O)c1cccs1)c1ccc(OC)cc1
InChIInChI=1S/C14H17NO3S2/c1-15-13(11-5-7-12(18-2)8-6-11)10-20(16,17)14-4-3-9-19-14/h3-9,13,15H,10H2,1-2H3
InChIKeyCBNDSWIPEHWVRC-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.49
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine

1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine (PubChem CID 64645996) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine
PubChem CID64645996
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC Name1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine
SMILESCNC(CS(=O)(=O)c1cccs1)c1ccc(OC)cc1
InChIInChI=1S/C14H17NO3S2/c1-15-13(11-5-7-12(18-2)8-6-11)10-20(16,17)14-4-3-9-19-14/h3-9,13,15H,10H2,1-2H3
InChIKeyCBNDSWIPEHWVRC-UHFFFAOYSA-N
XLogP2.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64646998
N-methyl-1-(4-propylphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64645998
1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64645393
1-(4-methoxyphenyl)-N-methyl-2-(2-methylsulfonylethylsulfonyl)ethanamine
CID 64646603
methyl 2-[2-(4-methoxyphenyl)-2-(methylamino)ethyl]sulfonylacetate
CID 64676552
1-(4-methoxyphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107759604
1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105095361
S-tert-butyl (3R)-3-(4-methoxyphenyl)-3-(thiophen-2-ylsulfonylamino)propanethioate
CID 102255642
N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]butanamide
CID 9182900
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568
2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 62917727
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1092869

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine (CID 64645996) is 1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine is CNC(CS(=O)(=O)c1cccs1)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine?
The InChIKey is CBNDSWIPEHWVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c1-15-13(11-5-7-12(18-2)8-6-11)10-20(16,17)14-4-3-9-19-14/h3-9,13,15H,10H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine?
1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine has a molecular weight of 311.43 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine is sourced from PubChem (CID 64645996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).