1-(2-methylphenyl)-2-thiophen-2-ylsulfonylethanamine

C13H15NO2S2 — CID 64647191

IUPAC1-(2-methylphenyl)-2-thiophen-2-ylsulfonylethanamine
SMILESCc1ccccc1C(N)CS(=O)(=O)c1cccs1
InChIInChI=1S/C13H15NO2S2/c1-10-5-2-3-6-11(10)12(14)9-18(15,16)13-7-4-8-17-13/h2-8,12H,9,14H2,1H3
InChIKeyHALRLPQFYGEDEY-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.53
Rot. Bonds4

About 1-(2-methylphenyl)-2-thiophen-2-ylsulfonylethanamine

1-(2-methylphenyl)-2-thiophen-2-ylsulfonylethanamine (PubChem CID 64647191) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-thiophen-2-ylsulfonylethanamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-thiophen-2-ylsulfonylethanamine
PubChem CID64647191
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC Name1-(2-methylphenyl)-2-thiophen-2-ylsulfonylethanamine
SMILESCc1ccccc1C(N)CS(=O)(=O)c1cccs1
InChIInChI=1S/C13H15NO2S2/c1-10-5-2-3-6-11(10)12(14)9-18(15,16)13-7-4-8-17-13/h2-8,12H,9,14H2,1H3
InChIKeyHALRLPQFYGEDEY-UHFFFAOYSA-N
XLogP2.53
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)sulfonyl-1-(2-methylphenyl)ethanamine
CID 64675080
1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64645393
1-pyridin-2-yl-2-thiophen-2-ylsulfonylethanamine
CID 82359917
3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine
CID 64646199
5-thiophen-2-ylsulfonylpentan-2-amine
CID 64644611
2-ethoxy-3-thiophen-2-ylsulfonylpropan-1-amine
CID 64697179
N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
CID 112506471
1-(2-methylphenyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62623242
1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine
CID 64674060
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
2-[2-(bromomethyl)pentylsulfonyl]thiophene
CID 65014082
N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79850524

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-thiophen-2-ylsulfonylethanamine?
The IUPAC name of 1-(2-methylphenyl)-2-thiophen-2-ylsulfonylethanamine (CID 64647191) is 1-(2-methylphenyl)-2-thiophen-2-ylsulfonylethanamine.
What is the SMILES notation for 1-(2-methylphenyl)-2-thiophen-2-ylsulfonylethanamine?
The canonical SMILES for 1-(2-methylphenyl)-2-thiophen-2-ylsulfonylethanamine is Cc1ccccc1C(N)CS(=O)(=O)c1cccs1.
What is the InChIKey of 1-(2-methylphenyl)-2-thiophen-2-ylsulfonylethanamine?
The InChIKey is HALRLPQFYGEDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-10-5-2-3-6-11(10)12(14)9-18(15,16)13-7-4-8-17-13/h2-8,12H,9,14H2,1H3.
What are the key properties of 1-(2-methylphenyl)-2-thiophen-2-ylsulfonylethanamine?
1-(2-methylphenyl)-2-thiophen-2-ylsulfonylethanamine has a molecular weight of 281.40 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-thiophen-2-ylsulfonylethanamine is sourced from PubChem (CID 64647191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).