1-(2-methyl-4-methylsulfonylphenyl)ethanamine

C10H15NO2S — CID 117304474

IUPAC1-(2-methyl-4-methylsulfonylphenyl)ethanamine
SMILESCc1cc(S(C)(=O)=O)ccc1C(C)N
InChIInChI=1S/C10H15NO2S/c1-7-6-9(14(3,12)13)4-5-10(7)8(2)11/h4-6,8H,11H2,1-3H3
InChIKeyDCJDPLOTQXRHSR-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.42
Rot. Bonds2

About 1-(2-methyl-4-methylsulfonylphenyl)ethanamine

1-(2-methyl-4-methylsulfonylphenyl)ethanamine (PubChem CID 117304474) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-(2-methyl-4-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-methyl-4-methylsulfonylphenyl)ethanamine
PubChem CID117304474
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name1-(2-methyl-4-methylsulfonylphenyl)ethanamine
SMILESCc1cc(S(C)(=O)=O)ccc1C(C)N
InChIInChI=1S/C10H15NO2S/c1-7-6-9(14(3,12)13)4-5-10(7)8(2)11/h4-6,8H,11H2,1-3H3
InChIKeyDCJDPLOTQXRHSR-UHFFFAOYSA-N
XLogP1.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-Methylsulfonylbenzylamine
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7-Methanesulfonyl-3-trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 44340588
(2-Methanesulfonylphenyl)methanamine
CID 16218335
4-(1-Aminoethyl)benzene-1-sulfonamide
CID 3689755
N-cyclopentyl-3,4-dimethylbenzenesulfonamide
CID 2442814
1-(4-(Methylsulfonyl)phenyl)propan-2-amine
CID 10890308
8-methylsulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 44363219
(4-Methylsulfonylphenyl)methylazanium;chloride
CID 57420
2-(4-Methanesulfonylphenyl)ethan-1-amine
CID 2760957
1-(4-(Methylsulfonyl)phenyl)ethanamine
CID 2736900

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-methylsulfonylphenyl)ethanamine?
The IUPAC name of 1-(2-methyl-4-methylsulfonylphenyl)ethanamine (CID 117304474) is 1-(2-methyl-4-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 1-(2-methyl-4-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 1-(2-methyl-4-methylsulfonylphenyl)ethanamine is Cc1cc(S(C)(=O)=O)ccc1C(C)N.
What is the InChIKey of 1-(2-methyl-4-methylsulfonylphenyl)ethanamine?
The InChIKey is DCJDPLOTQXRHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7-6-9(14(3,12)13)4-5-10(7)8(2)11/h4-6,8H,11H2,1-3H3.
What are the key properties of 1-(2-methyl-4-methylsulfonylphenyl)ethanamine?
1-(2-methyl-4-methylsulfonylphenyl)ethanamine has a molecular weight of 213.30 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 117304474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).