N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide

C10H16N2O5S2 — CID 82840011

IUPACN-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCCOc1ccccc1N
InChIInChI=1S/C10H16N2O5S2/c1-18(13,14)8-19(15,16)12-6-7-17-10-5-3-2-4-9(10)11/h2-5,12H,6-8,11H2,1H3
InChIKeyKCHMJGOQRRZPNJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.43
Rot. Bonds7

About N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide

N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide (PubChem CID 82840011) has the molecular formula C10H16N2O5S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide
PubChem CID82840011
Molecular FormulaC10H16N2O5S2
Molecular Weight308.38 g/mol
Exact Mass308.05
IUPAC NameN-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCCOc1ccccc1N
InChIInChI=1S/C10H16N2O5S2/c1-18(13,14)8-19(15,16)12-6-7-17-10-5-3-2-4-9(10)11/h2-5,12H,6-8,11H2,1H3
InChIKeyKCHMJGOQRRZPNJ-UHFFFAOYSA-N
XLogP-0.43
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide
CID 55009592
1-amino-2-[2-(sulfamoylamino)ethoxy]benzene
CID 114958698
1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 39360375
methyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate
CID 61458712
2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide
CID 115324601
N-[(2-aminophenyl)methyl]-1-methylsulfonylmethanesulfonamide
CID 82840479
N-[2-(2-aminophenoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 54915290
2-(2-aminophenoxy)ethylcarbamic acid
CID 70087941
2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide
CID 65039767
2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 106392325
2-octoxyaniline
CID 14747235
2-[2-(2,5-dimethylphenyl)sulfonylethoxy]aniline
CID 43444250

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide (CID 82840011) is N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide is CS(=O)(=O)CS(=O)(=O)NCCOc1ccccc1N.
What is the InChIKey of N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide?
The InChIKey is KCHMJGOQRRZPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S2/c1-18(13,14)8-19(15,16)12-6-7-17-10-5-3-2-4-9(10)11/h2-5,12H,6-8,11H2,1H3.
What are the key properties of N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide?
N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide has a molecular weight of 308.38 g/mol, XLogP of -0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82840011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).