N-[(2,5-dimethylphenoxy)sulfamoyl]ethanamine

C10H16N2O3S — CID 175537950

IUPACN-[(2,5-dimethylphenoxy)sulfamoyl]ethanamine
SMILESCCNS(=O)(=O)NOc1cc(C)ccc1C
InChIInChI=1S/C10H16N2O3S/c1-4-11-16(13,14)12-15-10-7-8(2)5-6-9(10)3/h5-7,11-12H,4H2,1-3H3
InChIKeyULOLXKVDSYBITH-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.04
Rot. Bonds5

About N-[(2,5-dimethylphenoxy)sulfamoyl]ethanamine

N-[(2,5-dimethylphenoxy)sulfamoyl]ethanamine (PubChem CID 175537950) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[(2,5-dimethylphenoxy)sulfamoyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenoxy)sulfamoyl]ethanamine
PubChem CID175537950
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-[(2,5-dimethylphenoxy)sulfamoyl]ethanamine
SMILESCCNS(=O)(=O)NOc1cc(C)ccc1C
InChIInChI=1S/C10H16N2O3S/c1-4-11-16(13,14)12-15-10-7-8(2)5-6-9(10)3/h5-7,11-12H,4H2,1-3H3
InChIKeyULOLXKVDSYBITH-UHFFFAOYSA-N
XLogP1.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,5-dimethylphenoxy)ethyl]ethanesulfonamide
CID 113100852
N-ethyl-4-methyl-2-(3-methylphenoxy)benzenesulfonamide
CID 10804527
1,4-dimethyl-2-(2-methylsulfonylethoxy)benzene
CID 112727927
N-[2-(2,5-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100856
N-[3-(2,4-dimethylphenoxy)propyl]methanesulfonamide
CID 20661102
N-[2-(2,5-dimethylphenoxy)ethyl]-5-ethylthiophene-2-sulfonamide
CID 113100868
4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157900
N-(4-methyl-2-propoxyphenyl)methanesulfonamide
CID 61063067
1,4-dimethyl-2-(2-propan-2-ylsulfonylethoxy)benzene
CID 106732643
[2-(2,4-dimethylphenyl)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828114
N-[(2,5-dimethylphenyl)sulfonylmethyl]ethanamine
CID 117036341
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenoxy)sulfamoyl]ethanamine?
The IUPAC name of N-[(2,5-dimethylphenoxy)sulfamoyl]ethanamine (CID 175537950) is N-[(2,5-dimethylphenoxy)sulfamoyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethylphenoxy)sulfamoyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethylphenoxy)sulfamoyl]ethanamine is CCNS(=O)(=O)NOc1cc(C)ccc1C.
What is the InChIKey of N-[(2,5-dimethylphenoxy)sulfamoyl]ethanamine?
The InChIKey is ULOLXKVDSYBITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-4-11-16(13,14)12-15-10-7-8(2)5-6-9(10)3/h5-7,11-12H,4H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenoxy)sulfamoyl]ethanamine?
N-[(2,5-dimethylphenoxy)sulfamoyl]ethanamine has a molecular weight of 244.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenoxy)sulfamoyl]ethanamine is sourced from PubChem (CID 175537950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).