5-methyl-4-(4-methylsulfonylphenyl)thiophen-2-amine

C12H13NO2S2 — CID 82379613

IUPAC5-methyl-4-(4-methylsulfonylphenyl)thiophen-2-amine
SMILESCc1sc(N)cc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H13NO2S2/c1-8-11(7-12(13)16-8)9-3-5-10(6-4-9)17(2,14)15/h3-7H,13H2,1-2H3
InChIKeyBHSBBYJUFOYHML-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.71
Rot. Bonds2

About 5-methyl-4-(4-methylsulfonylphenyl)thiophen-2-amine

5-methyl-4-(4-methylsulfonylphenyl)thiophen-2-amine (PubChem CID 82379613) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 5-methyl-4-(4-methylsulfonylphenyl)thiophen-2-amine.

Molecular Properties

Compound Name5-methyl-4-(4-methylsulfonylphenyl)thiophen-2-amine
PubChem CID82379613
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC Name5-methyl-4-(4-methylsulfonylphenyl)thiophen-2-amine
SMILESCc1sc(N)cc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C12H13NO2S2/c1-8-11(7-12(13)16-8)9-3-5-10(6-4-9)17(2,14)15/h3-7H,13H2,1-2H3
InChIKeyBHSBBYJUFOYHML-UHFFFAOYSA-N
XLogP2.71
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)benzene
CID 126737250
3-chloro-4-[4-(4-methylsulfonylphenyl)phenyl]aniline
CID 118623053
2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)aniline
CID 16754337
2-(4-fluorophenyl)-5-methylsulfonylaniline
CID 175686631
4-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56873902
4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)aniline
CID 171391113
2-chloro-5-methyl-3-(4-methylsulfonylphenyl)pyridine
CID 15380940
3-methyl-5-(4-methylsulfonylphenyl)-1,2-oxazole
CID 116868966
1-[5-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]ethanone
CID 23372680
2-(4-methylsulfonylphenyl)-1,3-benzothiazol-6-amine
CID 66203444
4-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]-1,3-thiazol-2-amine
CID 23372674
1,2-difluoro-4-(3-methylphenyl)-5-(4-methylsulfonylphenyl)benzene
CID 23451201

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-methylsulfonylphenyl)thiophen-2-amine?
The IUPAC name of 5-methyl-4-(4-methylsulfonylphenyl)thiophen-2-amine (CID 82379613) is 5-methyl-4-(4-methylsulfonylphenyl)thiophen-2-amine.
What is the SMILES notation for 5-methyl-4-(4-methylsulfonylphenyl)thiophen-2-amine?
The canonical SMILES for 5-methyl-4-(4-methylsulfonylphenyl)thiophen-2-amine is Cc1sc(N)cc1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 5-methyl-4-(4-methylsulfonylphenyl)thiophen-2-amine?
The InChIKey is BHSBBYJUFOYHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-8-11(7-12(13)16-8)9-3-5-10(6-4-9)17(2,14)15/h3-7H,13H2,1-2H3.
What are the key properties of 5-methyl-4-(4-methylsulfonylphenyl)thiophen-2-amine?
5-methyl-4-(4-methylsulfonylphenyl)thiophen-2-amine has a molecular weight of 267.38 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-methylsulfonylphenyl)thiophen-2-amine is sourced from PubChem (CID 82379613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).