N-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]methanesulfonamide

C12H20N2O3S — CID 43771862

IUPACN-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]methanesulfonamide
SMILESCOc1ccc(CNCCNS(C)(=O)=O)cc1C
InChIInChI=1S/C12H20N2O3S/c1-10-8-11(4-5-12(10)17-2)9-13-6-7-14-18(3,15)16/h4-5,8,13-14H,6-7,9H2,1-3H3
InChIKeySXOYHNFHRFWYDF-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.64
Rot. Bonds7

About N-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]methanesulfonamide

N-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]methanesulfonamide (PubChem CID 43771862) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]methanesulfonamide
PubChem CID43771862
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]methanesulfonamide
SMILESCOc1ccc(CNCCNS(C)(=O)=O)cc1C
InChIInChI=1S/C12H20N2O3S/c1-10-8-11(4-5-12(10)17-2)9-13-6-7-14-18(3,15)16/h4-5,8,13-14H,6-7,9H2,1-3H3
InChIKeySXOYHNFHRFWYDF-UHFFFAOYSA-N
XLogP0.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine
CID 115581213
3-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83117123
N-[2-[(3,4-difluorophenyl)methylamino]ethyl]methanesulfonamide
CID 28731622
1-N-[(4-methoxy-3-methylphenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200571
N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110779823
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 110779808
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(methanesulfonamido)ethyl]urea
CID 38208936
N-[(4-methoxy-3-methylphenyl)methyl]-3-propoxypropan-1-amine
CID 82942119
2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]-5-methylbenzenesulfonamide
CID 110779814
2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide
CID 106235776
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033
N-[2-[(2-methylquinolin-6-yl)methylamino]ethyl]methanesulfonamide
CID 105378256

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]methanesulfonamide (CID 43771862) is N-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]methanesulfonamide is COc1ccc(CNCCNS(C)(=O)=O)cc1C.
What is the InChIKey of N-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]methanesulfonamide?
The InChIKey is SXOYHNFHRFWYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-10-8-11(4-5-12(10)17-2)9-13-6-7-14-18(3,15)16/h4-5,8,13-14H,6-7,9H2,1-3H3.
What are the key properties of N-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]methanesulfonamide?
N-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]methanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 43771862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).