N-[2-(3-methylphenoxy)ethyl]-2-(propylamino)ethanesulfonamide

C14H24N2O3S — CID 106018382

IUPACN-[2-(3-methylphenoxy)ethyl]-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C14H24N2O3S/c1-3-7-15-9-11-20(17,18)16-8-10-19-14-6-4-5-13(2)12-14/h4-6,12,15-16H,3,7-11H2,1-2H3
InChIKeyYFRGZHWCSGBNOM-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.29
Rot. Bonds10

About N-[2-(3-methylphenoxy)ethyl]-2-(propylamino)ethanesulfonamide

N-[2-(3-methylphenoxy)ethyl]-2-(propylamino)ethanesulfonamide (PubChem CID 106018382) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]-2-(propylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]-2-(propylamino)ethanesulfonamide
PubChem CID106018382
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[2-(3-methylphenoxy)ethyl]-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C14H24N2O3S/c1-3-7-15-9-11-20(17,18)16-8-10-19-14-6-4-5-13(2)12-14/h4-6,12,15-16H,3,7-11H2,1-2H3
InChIKeyYFRGZHWCSGBNOM-UHFFFAOYSA-N
XLogP1.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-methylphenoxy)propyl]hexan-1-amine
CID 82097595
N-(3-phenoxypropyl)propane-1-sulfonamide
CID 61383933
N-[2-(3-methylphenoxy)ethyl]heptan-1-amine
CID 54797484
N-butyl-6-(3-methylphenoxy)hexan-1-amine
CID 2249508
4-amino-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 9158032
3-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 81265088
4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099165
N-[2-(2,3-dimethylphenoxy)ethyl]propane-1-sulfonamide
CID 113100955
N-[2-(3-methylphenoxy)ethyl]-4-methylsulfanylbenzenesulfonamide
CID 49237977
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
4-fluoro-3-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099147
2-methyl-1-[2-(3-methylphenoxy)ethyl]-3-propylguanidine
CID 111227763

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]-2-(propylamino)ethanesulfonamide?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]-2-(propylamino)ethanesulfonamide (CID 106018382) is N-[2-(3-methylphenoxy)ethyl]-2-(propylamino)ethanesulfonamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]-2-(propylamino)ethanesulfonamide?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]-2-(propylamino)ethanesulfonamide is CCCNCCS(=O)(=O)NCCOc1cccc(C)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]-2-(propylamino)ethanesulfonamide?
The InChIKey is YFRGZHWCSGBNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-7-15-9-11-20(17,18)16-8-10-19-14-6-4-5-13(2)12-14/h4-6,12,15-16H,3,7-11H2,1-2H3.
What are the key properties of N-[2-(3-methylphenoxy)ethyl]-2-(propylamino)ethanesulfonamide?
N-[2-(3-methylphenoxy)ethyl]-2-(propylamino)ethanesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.29, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]-2-(propylamino)ethanesulfonamide is sourced from PubChem (CID 106018382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).