N-methyl-1-(3-methylsulfonylphenyl)ethanamine

C10H15NO2S — CID 112704192

IUPACN-methyl-1-(3-methylsulfonylphenyl)ethanamine
SMILESCNC(C)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C10H15NO2S/c1-8(11-2)9-5-4-6-10(7-9)14(3,12)13/h4-8,11H,1-3H3
InChIKeyMPFBEAYYCJFNKF-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.37
Rot. Bonds3

About N-methyl-1-(3-methylsulfonylphenyl)ethanamine

N-methyl-1-(3-methylsulfonylphenyl)ethanamine (PubChem CID 112704192) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is N-methyl-1-(3-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylsulfonylphenyl)ethanamine
PubChem CID112704192
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameN-methyl-1-(3-methylsulfonylphenyl)ethanamine
SMILESCNC(C)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C10H15NO2S/c1-8(11-2)9-5-4-6-10(7-9)14(3,12)13/h4-8,11H,1-3H3
InChIKeyMPFBEAYYCJFNKF-UHFFFAOYSA-N
XLogP1.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 130699454
1-(difluoromethyl)-3-methylsulfonylbenzene
CID 154791321
3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
CID 43506746
N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43507037
N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide
CID 43507081
2-methoxy-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 105008924
(1R)-2-methyl-1-(3-methylsulfonylphenyl)propan-1-amine;hydrochloride
CID 162344134
3-[1-(methylamino)ethyl]-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83142320
N-(cyclopropylmethyl)-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506800
4-methoxy-N,2-dimethyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 105044611
3-[1-(methylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63957668
3-[1-(methylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 43506641

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylsulfonylphenyl)ethanamine?
The IUPAC name of N-methyl-1-(3-methylsulfonylphenyl)ethanamine (CID 112704192) is N-methyl-1-(3-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for N-methyl-1-(3-methylsulfonylphenyl)ethanamine?
The canonical SMILES for N-methyl-1-(3-methylsulfonylphenyl)ethanamine is CNC(C)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-methyl-1-(3-methylsulfonylphenyl)ethanamine?
The InChIKey is MPFBEAYYCJFNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-8(11-2)9-5-4-6-10(7-9)14(3,12)13/h4-8,11H,1-3H3.
What are the key properties of N-methyl-1-(3-methylsulfonylphenyl)ethanamine?
N-methyl-1-(3-methylsulfonylphenyl)ethanamine has a molecular weight of 213.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 112704192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).