2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide

C12H20N2O2S — CID 55062668

IUPAC2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide
SMILESCNCCS(=O)(=O)NCCc1cccc(C)c1
InChIInChI=1S/C12H20N2O2S/c1-11-4-3-5-12(10-11)6-7-14-17(15,16)9-8-13-2/h3-5,10,13-14H,6-9H2,1-2H3
InChIKeyNISKWSBXSPVVJY-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.68
Rot. Bonds7

About 2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide

2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide (PubChem CID 55062668) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide
PubChem CID55062668
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide
SMILESCNCCS(=O)(=O)NCCc1cccc(C)c1
InChIInChI=1S/C12H20N2O2S/c1-11-4-3-5-12(10-11)6-7-14-17(15,16)9-8-13-2/h3-5,10,13-14H,6-9H2,1-2H3
InChIKeyNISKWSBXSPVVJY-UHFFFAOYSA-N
XLogP0.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
CID 110288627
4-amino-N-[2-(3-methylphenyl)ethyl]butane-1-sulfonamide
CID 62313210
1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide
CID 62314442
2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide
CID 110288623
N-[(3-chlorophenyl)methyl]-2-(methylamino)ethanesulfonamide
CID 62531388
2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide
CID 62313894
N-methyl-2-[5-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 62365728
N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110733578
2-(3-methylphenyl)ethanesulfonic acid
CID 87590537
N-[2-(3-hydroxyphenyl)ethyl]ethanesulfonamide
CID 52911551
4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride
CID 119745493
1-ethylsulfonyl-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 113350740

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide?
The IUPAC name of 2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide (CID 55062668) is 2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide is CNCCS(=O)(=O)NCCc1cccc(C)c1.
What is the InChIKey of 2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide?
The InChIKey is NISKWSBXSPVVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-11-4-3-5-12(10-11)6-7-14-17(15,16)9-8-13-2/h3-5,10,13-14H,6-9H2,1-2H3.
What are the key properties of 2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide?
2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 55062668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).