2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide

C15H26N2O3S — CID 115324601

IUPAC2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide
SMILESCC(C)CCCCNS(=O)(=O)CCOc1ccccc1N
InChIInChI=1S/C15H26N2O3S/c1-13(2)7-5-6-10-17-21(18,19)12-11-20-15-9-4-3-8-14(15)16/h3-4,8-9,13,17H,5-7,10-12,16H2,1-2H3
InChIKeyVHAXAWSQNGTHQV-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.39
Rot. Bonds10

About 2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide

2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide (PubChem CID 115324601) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide
PubChem CID115324601
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide
SMILESCC(C)CCCCNS(=O)(=O)CCOc1ccccc1N
InChIInChI=1S/C15H26N2O3S/c1-13(2)7-5-6-10-17-21(18,19)12-11-20-15-9-4-3-8-14(15)16/h3-4,8-9,13,17H,5-7,10-12,16H2,1-2H3
InChIKeyVHAXAWSQNGTHQV-UHFFFAOYSA-N
XLogP2.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(4-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide
CID 115324613
N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide
CID 55009592
N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide
CID 82840011
1-amino-2-[2-(sulfamoylamino)ethoxy]benzene
CID 114958698
2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 106392325
2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide
CID 65039767
2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
CID 106152843
2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide
CID 65230784
1-(4-aminophenyl)-N-(5-methylhexyl)methanesulfonamide
CID 115324575
1-(2-aminophenoxy)propane-2-sulfonic acid
CID 87262430
4-(2-aminophenoxy)butane-1-sulfonic acid
CID 18954137
3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324605

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide?
The IUPAC name of 2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide (CID 115324601) is 2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide is CC(C)CCCCNS(=O)(=O)CCOc1ccccc1N.
What is the InChIKey of 2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide?
The InChIKey is VHAXAWSQNGTHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-13(2)7-5-6-10-17-21(18,19)12-11-20-15-9-4-3-8-14(15)16/h3-4,8-9,13,17H,5-7,10-12,16H2,1-2H3.
What are the key properties of 2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide?
2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.39, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide is sourced from PubChem (CID 115324601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).