2-[2-(methylsulfonylmethylsulfonylamino)phenoxy]ethanethioamide

C10H14N2O5S3 — CID 82842535

IUPAC2-[2-(methylsulfonylmethylsulfonylamino)phenoxy]ethanethioamide
SMILESCS(=O)(=O)CS(=O)(=O)Nc1ccccc1OCC(N)=S
InChIInChI=1S/C10H14N2O5S3/c1-19(13,14)7-20(15,16)12-8-4-2-3-5-9(8)17-6-10(11)18/h2-5,12H,6-7H2,1H3,(H2,11,18)
InChIKeyMUNIIZDXAPXUFD-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.10
Rot. Bonds7

About 2-[2-(methylsulfonylmethylsulfonylamino)phenoxy]ethanethioamide

2-[2-(methylsulfonylmethylsulfonylamino)phenoxy]ethanethioamide (PubChem CID 82842535) has the molecular formula C10H14N2O5S3 and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-[2-(methylsulfonylmethylsulfonylamino)phenoxy]ethanethioamide.

Molecular Properties

Compound Name2-[2-(methylsulfonylmethylsulfonylamino)phenoxy]ethanethioamide
PubChem CID82842535
Molecular FormulaC10H14N2O5S3
Molecular Weight338.43 g/mol
Exact Mass338.01
IUPAC Name2-[2-(methylsulfonylmethylsulfonylamino)phenoxy]ethanethioamide
SMILESCS(=O)(=O)CS(=O)(=O)Nc1ccccc1OCC(N)=S
InChIInChI=1S/C10H14N2O5S3/c1-19(13,14)7-20(15,16)12-8-4-2-3-5-9(8)17-6-10(11)18/h2-5,12H,6-7H2,1H3,(H2,11,18)
InChIKeyMUNIIZDXAPXUFD-UHFFFAOYSA-N
XLogP0.10
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(methylsulfonylmethylsulfonylamino)phenoxy]ethanethioamide 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

2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenoxy]ethanethioamide
CID 61453978
2-[2-[(5-bromothiophen-2-yl)sulfonylamino]phenoxy]ethanethioamide
CID 43369773
1-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-propan-2-ylurea
CID 43369664
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3,3-dimethylbutanamide
CID 43175553
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]pentanamide
CID 43369499
N-(2-ethoxyphenyl)propane-1-sulfonamide
CID 60641405
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 43369535
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-3-methylthiophene-2-carboxamide
CID 43175560
2-[2-(cyclopropylsulfonylamino)phenoxy]-N'-hydroxyethanimidamide
CID 77046512
2-[[2-(3-amino-3-oxopropoxy)phenyl]sulfamoyl]acetic acid
CID 43715705
3-[2-(bromomethylsulfonylamino)phenoxy]propanamide
CID 83084188
N-[2-(2-aminoethoxy)phenyl]propane-1-sulfonamide
CID 43175615

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylsulfonylmethylsulfonylamino)phenoxy]ethanethioamide?
The IUPAC name of 2-[2-(methylsulfonylmethylsulfonylamino)phenoxy]ethanethioamide (CID 82842535) is 2-[2-(methylsulfonylmethylsulfonylamino)phenoxy]ethanethioamide.
What is the SMILES notation for 2-[2-(methylsulfonylmethylsulfonylamino)phenoxy]ethanethioamide?
The canonical SMILES for 2-[2-(methylsulfonylmethylsulfonylamino)phenoxy]ethanethioamide is CS(=O)(=O)CS(=O)(=O)Nc1ccccc1OCC(N)=S.
What is the InChIKey of 2-[2-(methylsulfonylmethylsulfonylamino)phenoxy]ethanethioamide?
The InChIKey is MUNIIZDXAPXUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S3/c1-19(13,14)7-20(15,16)12-8-4-2-3-5-9(8)17-6-10(11)18/h2-5,12H,6-7H2,1H3,(H2,11,18).
What are the key properties of 2-[2-(methylsulfonylmethylsulfonylamino)phenoxy]ethanethioamide?
2-[2-(methylsulfonylmethylsulfonylamino)phenoxy]ethanethioamide has a molecular weight of 338.43 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylsulfonylmethylsulfonylamino)phenoxy]ethanethioamide is sourced from PubChem (CID 82842535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).