3-methyl-2-(methylsulfonylmethyl)thiophene

C7H10O2S2 — CID 86036540

IUPAC3-methyl-2-(methylsulfonylmethyl)thiophene
SMILESCc1ccsc1CS(C)(=O)=O
InChIInChI=1S/C7H10O2S2/c1-6-3-4-10-7(6)5-11(2,8)9/h3-4H,5H2,1-2H3
InChIKeyPFLUILXDTCTHKT-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.60
Rot. Bonds2

About 3-methyl-2-(methylsulfonylmethyl)thiophene

3-methyl-2-(methylsulfonylmethyl)thiophene (PubChem CID 86036540) has the molecular formula C7H10O2S2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-methyl-2-(methylsulfonylmethyl)thiophene.

Molecular Properties

Compound Name3-methyl-2-(methylsulfonylmethyl)thiophene
PubChem CID86036540
Molecular FormulaC7H10O2S2
Molecular Weight190.29 g/mol
Exact Mass190.01
IUPAC Name3-methyl-2-(methylsulfonylmethyl)thiophene
SMILESCc1ccsc1CS(C)(=O)=O
InChIInChI=1S/C7H10O2S2/c1-6-3-4-10-7(6)5-11(2,8)9/h3-4H,5H2,1-2H3
InChIKeyPFLUILXDTCTHKT-UHFFFAOYSA-N
XLogP1.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(3-methylthiophen-2-yl)methyl]propane-1-sulfonamide
CID 61383956
2-(bromomethyl)-3-methylthiophene
CID 18463526
(1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine
CID 130055070
CID 172777676
CID 172777676
1-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methyl-3-[(3-methylthiophen-2-yl)methyl]guanidine
CID 109446447
2-methyl-1-(2-methylsulfonylethyl)-3-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111893752
2-amino-N-methyl-4-methylsulfonyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 54870095
2-(3-methylthiophen-2-yl)ethanethiol
CID 55274895
N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 2811533
2-[(diethylsulfamoylamino)methyl]-3-methylthiophene
CID 35610330
4-(3-methylthiophen-2-yl)butan-2-one
CID 11041114
N,N-dimethyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propane-1-sulfonamide
CID 135108529

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(methylsulfonylmethyl)thiophene?
The IUPAC name of 3-methyl-2-(methylsulfonylmethyl)thiophene (CID 86036540) is 3-methyl-2-(methylsulfonylmethyl)thiophene.
What is the SMILES notation for 3-methyl-2-(methylsulfonylmethyl)thiophene?
The canonical SMILES for 3-methyl-2-(methylsulfonylmethyl)thiophene is Cc1ccsc1CS(C)(=O)=O.
What is the InChIKey of 3-methyl-2-(methylsulfonylmethyl)thiophene?
The InChIKey is PFLUILXDTCTHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S2/c1-6-3-4-10-7(6)5-11(2,8)9/h3-4H,5H2,1-2H3.
What are the key properties of 3-methyl-2-(methylsulfonylmethyl)thiophene?
3-methyl-2-(methylsulfonylmethyl)thiophene has a molecular weight of 190.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(methylsulfonylmethyl)thiophene is sourced from PubChem (CID 86036540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).