2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline

C11H19N3O4S — CID 114814135

IUPAC2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline
SMILESCOCCNS(=O)(=O)NCc1ccc(OC)c(N)c1
InChIInChI=1S/C11H19N3O4S/c1-17-6-5-13-19(15,16)14-8-9-3-4-11(18-2)10(12)7-9/h3-4,7,13-14H,5-6,8,12H2,1-2H3
InChIKeyRHMGUQJHWVLCBN-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.15
Rot. Bonds8

About 2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline

2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline (PubChem CID 114814135) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline
PubChem CID114814135
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline
SMILESCOCCNS(=O)(=O)NCc1ccc(OC)c(N)c1
InChIInChI=1S/C11H19N3O4S/c1-17-6-5-13-19(15,16)14-8-9-3-4-11(18-2)10(12)7-9/h3-4,7,13-14H,5-6,8,12H2,1-2H3
InChIKeyRHMGUQJHWVLCBN-UHFFFAOYSA-N
XLogP-0.15
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline 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-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropane-2-sulfonamide
CID 63690066
[3-[(2-methoxyethylsulfamoylamino)methyl]phenyl]methanol
CID 114815669
3-[(2-methoxyethylsulfamoylamino)methyl]phenol
CID 114815535
N-[(3-amino-4-methoxyphenyl)methyl]-3-methylbutane-1-sulfonamide
CID 55259376
2-methoxy-4-N-(2-methoxyethylsulfamoyl)benzene-1,4-diamine
CID 114815986
N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide
CID 110300105
2-methoxy-5-[2-(2-methoxyethylamino)propyl]aniline
CID 82257458
3-[(2-methoxyethylsulfamoylamino)methyl]benzoic acid
CID 114814467
3-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide
CID 114816930
2-methoxy-5-[3-(3-methoxypropylamino)propyl]aniline
CID 82153268
N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60972714
5-[(4-fluorophenyl)sulfonylmethyl]-2-methoxyaniline
CID 43444217

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline?
The IUPAC name of 2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline (CID 114814135) is 2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline.
What is the SMILES notation for 2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline?
The canonical SMILES for 2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline is COCCNS(=O)(=O)NCc1ccc(OC)c(N)c1.
What is the InChIKey of 2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline?
The InChIKey is RHMGUQJHWVLCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-17-6-5-13-19(15,16)14-8-9-3-4-11(18-2)10(12)7-9/h3-4,7,13-14H,5-6,8,12H2,1-2H3.
What are the key properties of 2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline?
2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline has a molecular weight of 289.36 g/mol, XLogP of -0.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2-methoxyethylsulfamoylamino)methyl]aniline is sourced from PubChem (CID 114814135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).