N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide

C12H20N2O2S — CID 62392443

IUPACN-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide
SMILESCCc1ccccc1CNCCNS(C)(=O)=O
InChIInChI=1S/C12H20N2O2S/c1-3-11-6-4-5-7-12(11)10-13-8-9-14-17(2,15)16/h4-7,13-14H,3,8-10H2,1-2H3
InChIKeySBYDDQFUWAGKGN-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.89
Rot. Bonds7

About N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide

N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide (PubChem CID 62392443) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide
PubChem CID62392443
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide
SMILESCCc1ccccc1CNCCNS(C)(=O)=O
InChIInChI=1S/C12H20N2O2S/c1-3-11-6-4-5-7-12(11)10-13-8-9-14-17(2,15)16/h4-7,13-14H,3,8-10H2,1-2H3
InChIKeySBYDDQFUWAGKGN-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide 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-[(2,3-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 43658842
2-[2-[[3-(methanesulfonamido)propylamino]methyl]phenyl]acetic acid
CID 106336801
N-[2-[(2-chloro-4-methylphenyl)methylamino]ethyl]methanesulfonamide
CID 106862330
N-[3-[(2-fluorophenyl)methylamino]propyl]methanesulfonamide
CID 103611752
N-[2-[(2-prop-2-ynoxyphenyl)methylamino]ethyl]methanesulfonamide
CID 28732455
N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide
CID 28732222
N'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine
CID 113405413
2-tert-butylsulfonyl-N-[(2-ethylphenyl)methyl]ethanamine
CID 106723822
N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 62392429
N-[2-[(2-fluoro-3-nitrophenyl)methylamino]ethyl]methanesulfonamide
CID 107348955
N-[2-[(2,6-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 28731619
N-[3-[(2-cyanophenyl)methylamino]propyl]methanesulfonamide
CID 103616089

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide (CID 62392443) is N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide is CCc1ccccc1CNCCNS(C)(=O)=O.
What is the InChIKey of N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide?
The InChIKey is SBYDDQFUWAGKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-11-6-4-5-7-12(11)10-13-8-9-14-17(2,15)16/h4-7,13-14H,3,8-10H2,1-2H3.
What are the key properties of N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide?
N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 62392443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).