N-methyl-2-(4-propylsulfonylphenoxy)ethanamine

C12H19NO3S — CID 55065350

IUPACN-methyl-2-(4-propylsulfonylphenoxy)ethanamine
SMILESCCCS(=O)(=O)c1ccc(OCCNC)cc1
InChIInChI=1S/C12H19NO3S/c1-3-10-17(14,15)12-6-4-11(5-7-12)16-9-8-13-2/h4-7,13H,3,8-10H2,1-2H3
InChIKeyCDUYZLYHVCPBGI-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.47
Rot. Bonds7

About N-methyl-2-(4-propylsulfonylphenoxy)ethanamine

N-methyl-2-(4-propylsulfonylphenoxy)ethanamine (PubChem CID 55065350) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is N-methyl-2-(4-propylsulfonylphenoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-propylsulfonylphenoxy)ethanamine
PubChem CID55065350
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC NameN-methyl-2-(4-propylsulfonylphenoxy)ethanamine
SMILESCCCS(=O)(=O)c1ccc(OCCNC)cc1
InChIInChI=1S/C12H19NO3S/c1-3-10-17(14,15)12-6-4-11(5-7-12)16-9-8-13-2/h4-7,13H,3,8-10H2,1-2H3
InChIKeyCDUYZLYHVCPBGI-UHFFFAOYSA-N
XLogP1.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide
CID 119973145
1-but-3-enylsulfonyl-4-butoxybenzene
CID 23466721
4-[2-(methylamino)ethoxy]-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053680
1-dodecoxy-4-[(4-dodecoxyphenyl)sulfonylmethylsulfonyl]benzene
CID 23437512
N-[2-(4-methylsulfonylphenoxy)ethyl]propan-1-amine
CID 43807211
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
4-[3-(methylamino)propoxy]-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 106063766
N-(1-methoxypropan-2-yl)-4-[2-(methylamino)ethoxy]benzenesulfonamide
CID 106056940

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-propylsulfonylphenoxy)ethanamine?
The IUPAC name of N-methyl-2-(4-propylsulfonylphenoxy)ethanamine (CID 55065350) is N-methyl-2-(4-propylsulfonylphenoxy)ethanamine.
What is the SMILES notation for N-methyl-2-(4-propylsulfonylphenoxy)ethanamine?
The canonical SMILES for N-methyl-2-(4-propylsulfonylphenoxy)ethanamine is CCCS(=O)(=O)c1ccc(OCCNC)cc1.
What is the InChIKey of N-methyl-2-(4-propylsulfonylphenoxy)ethanamine?
The InChIKey is CDUYZLYHVCPBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-3-10-17(14,15)12-6-4-11(5-7-12)16-9-8-13-2/h4-7,13H,3,8-10H2,1-2H3.
What are the key properties of N-methyl-2-(4-propylsulfonylphenoxy)ethanamine?
N-methyl-2-(4-propylsulfonylphenoxy)ethanamine has a molecular weight of 257.35 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-propylsulfonylphenoxy)ethanamine is sourced from PubChem (CID 55065350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).