(4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine

C13H15NO2S2 — CID 43198043

IUPAC(4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(C(N)c2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C13H15NO2S2/c1-9-3-8-12(17-9)13(14)10-4-6-11(7-5-10)18(2,15)16/h3-8,13H,14H2,1-2H3
InChIKeyFZEHYUHROQRAMS-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.51
Rot. Bonds3

About (4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine

(4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine (PubChem CID 43198043) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine
PubChem CID43198043
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC Name(4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine
SMILESCc1ccc(C(N)c2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C13H15NO2S2/c1-9-3-8-12(17-9)13(14)10-4-6-11(7-5-10)18(2,15)16/h3-8,13H,14H2,1-2H3
InChIKeyFZEHYUHROQRAMS-UHFFFAOYSA-N
XLogP2.51
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-iodophenyl)-(5-methylthiophen-2-yl)methanamine
CID 43124884
(4,5-dibromothiophen-2-yl)-(4-methylsulfonylphenyl)methanamine
CID 80533218
1-(4-methylsulfonylphenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine
CID 63237953
(4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 24689230
(4-butoxyphenyl)-(5-methylthiophen-2-yl)methanamine
CID 105162171
amino-(4-methylsulfonylphenyl)methanol
CID 116939660
(1S)-1-(4-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 162344090
2-[chloro-(3-methylsulfonylphenyl)methyl]-5-methylthiophene
CID 61082520
(2R)-2-amino-2-(4-methylsulfonylphenyl)ethanol;hydrochloride
CID 142503487
(1S)-3-methyl-1-(4-methylsulfonylphenyl)butan-1-amine
CID 96590996
(4-methyl-3-pyridinyl)-(4-methylsulfonylphenyl)methanamine
CID 105006479
2-(5-ethylthiophen-2-yl)-1-(4-methylsulfonylphenyl)ethanamine
CID 115842561

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of (4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine (CID 43198043) is (4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for (4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine is Cc1ccc(C(N)c2ccc(S(C)(=O)=O)cc2)s1.
What is the InChIKey of (4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine?
The InChIKey is FZEHYUHROQRAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-9-3-8-12(17-9)13(14)10-4-6-11(7-5-10)18(2,15)16/h3-8,13H,14H2,1-2H3.
What are the key properties of (4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine?
(4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine has a molecular weight of 281.40 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 43198043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).