2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine

C8H13NO2S2 — CID 102840919

IUPAC2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine
SMILESCc1sccc1C(N)CS(C)(=O)=O
InChIInChI=1S/C8H13NO2S2/c1-6-7(3-4-12-6)8(9)5-13(2,10)11/h3-4,8H,5,9H2,1-2H3
InChIKeyCISJFXGAEKSESR-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.10
Rot. Bonds3

About 2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine

2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine (PubChem CID 102840919) has the molecular formula C8H13NO2S2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine
PubChem CID102840919
Molecular FormulaC8H13NO2S2
Molecular Weight219.33 g/mol
Exact Mass219.04
IUPAC Name2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine
SMILESCc1sccc1C(N)CS(C)(=O)=O
InChIInChI=1S/C8H13NO2S2/c1-6-7(3-4-12-6)8(9)5-13(2,10)11/h3-4,8H,5,9H2,1-2H3
InChIKeyCISJFXGAEKSESR-UHFFFAOYSA-N
XLogP1.10
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine
CID 130055070
1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine
CID 80534875
(1R)-1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine
CID 130055235
1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine
CID 102842113
(1R)-1-(2-methylthiophen-3-yl)ethanamine
CID 46839608
2-(2-methylphenyl)sulfanyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102832955
3-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 103029545
1-(2-methylthiophen-3-yl)-2-propoxyethanamine
CID 102832182
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanamine
CID 102841282
(1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine
CID 94451404
4-methoxy-3-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102841429
[2-methylsulfonyl-1-(2-methylthiophen-3-yl)propyl]hydrazine
CID 102843358

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine (CID 102840919) is 2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine is Cc1sccc1C(N)CS(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine?
The InChIKey is CISJFXGAEKSESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S2/c1-6-7(3-4-12-6)8(9)5-13(2,10)11/h3-4,8H,5,9H2,1-2H3.
What are the key properties of 2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine?
2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(2-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 102840919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).