N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide

C12H20N2O4S — CID 28732222

IUPACN-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide
SMILESCOc1cccc(CNCCNS(C)(=O)=O)c1OC
InChIInChI=1S/C12H20N2O4S/c1-17-11-6-4-5-10(12(11)18-2)9-13-7-8-14-19(3,15)16/h4-6,13-14H,7-9H2,1-3H3
InChIKeyWFTDDLOJGJMZCH-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.34
Rot. Bonds8

About N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide

N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide (PubChem CID 28732222) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide
PubChem CID28732222
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC NameN-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide
SMILESCOc1cccc(CNCCNS(C)(=O)=O)c1OC
InChIInChI=1S/C12H20N2O4S/c1-17-11-6-4-5-10(12(11)18-2)9-13-7-8-14-19(3,15)16/h4-6,13-14H,7-9H2,1-3H3
InChIKeyWFTDDLOJGJMZCH-UHFFFAOYSA-N
XLogP0.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide
CID 63627447
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
CID 59317356
CID 59317356
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 17206692
N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide
CID 62392443
N-[(2,3-dimethoxyphenyl)methyl]-3-methylsulfinylpropan-1-amine
CID 115632916
5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol
CID 17206697
N-[3-[(2,3-dimethoxyphenyl)methylamino]propyl]acetamide
CID 82364656
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide (CID 28732222) is N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide is COc1cccc(CNCCNS(C)(=O)=O)c1OC.
What is the InChIKey of N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide?
The InChIKey is WFTDDLOJGJMZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-17-11-6-4-5-10(12(11)18-2)9-13-7-8-14-19(3,15)16/h4-6,13-14H,7-9H2,1-3H3.
What are the key properties of N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide?
N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 28732222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).