2-(2-aminophenoxy)-N-[(2-methylthiolan-2-yl)methyl]ethanesulfonamide

C14H22N2O3S2 — CID 80725543

IUPAC2-(2-aminophenoxy)-N-[(2-methylthiolan-2-yl)methyl]ethanesulfonamide
SMILESCC1(CNS(=O)(=O)CCOc2ccccc2N)CCCS1
InChIInChI=1S/C14H22N2O3S2/c1-14(7-4-9-20-14)11-16-21(17,18)10-8-19-13-6-3-2-5-12(13)15/h2-3,5-6,16H,4,7-11,15H2,1H3
InChIKeyNLYXYRUKQDZQSS-UHFFFAOYSA-N
MW330.47 g/mol
LogP1.85
Rot. Bonds7

About 2-(2-aminophenoxy)-N-[(2-methylthiolan-2-yl)methyl]ethanesulfonamide

2-(2-aminophenoxy)-N-[(2-methylthiolan-2-yl)methyl]ethanesulfonamide (PubChem CID 80725543) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-[(2-methylthiolan-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-[(2-methylthiolan-2-yl)methyl]ethanesulfonamide
PubChem CID80725543
Molecular FormulaC14H22N2O3S2
Molecular Weight330.47 g/mol
Exact Mass330.11
IUPAC Name2-(2-aminophenoxy)-N-[(2-methylthiolan-2-yl)methyl]ethanesulfonamide
SMILESCC1(CNS(=O)(=O)CCOc2ccccc2N)CCCS1
InChIInChI=1S/C14H22N2O3S2/c1-14(7-4-9-20-14)11-16-21(17,18)10-8-19-13-6-3-2-5-12(13)15/h2-3,5-6,16H,4,7-11,15H2,1H3
InChIKeyNLYXYRUKQDZQSS-UHFFFAOYSA-N
XLogP1.85
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-[(2-methylthiolan-2-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-(2-aminophenoxy)-N-[(2-methylthiolan-2-yl)methyl]ethanesulfonamide (CID 80725543) is 2-(2-aminophenoxy)-N-[(2-methylthiolan-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-[(2-methylthiolan-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-[(2-methylthiolan-2-yl)methyl]ethanesulfonamide is CC1(CNS(=O)(=O)CCOc2ccccc2N)CCCS1.
What is the InChIKey of 2-(2-aminophenoxy)-N-[(2-methylthiolan-2-yl)methyl]ethanesulfonamide?
The InChIKey is NLYXYRUKQDZQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-14(7-4-9-20-14)11-16-21(17,18)10-8-19-13-6-3-2-5-12(13)15/h2-3,5-6,16H,4,7-11,15H2,1H3.
What are the key properties of 2-(2-aminophenoxy)-N-[(2-methylthiolan-2-yl)methyl]ethanesulfonamide?
2-(2-aminophenoxy)-N-[(2-methylthiolan-2-yl)methyl]ethanesulfonamide has a molecular weight of 330.47 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-[(2-methylthiolan-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 80725543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).