N-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide

C14H24N2O3S — CID 61013662

IUPACN-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNCC(O)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C14H24N2O3S/c1-3-16(20(2,18)19)11-7-10-15-12-14(17)13-8-5-4-6-9-13/h4-6,8-9,14-15,17H,3,7,10-12H2,1-2H3
InChIKeyGAHKKXQBAXIPKL-UHFFFAOYSA-N
MW300.42 g/mol
LogP0.98
Rot. Bonds9

About N-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide

N-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide (PubChem CID 61013662) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide
PubChem CID61013662
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNCC(O)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C14H24N2O3S/c1-3-16(20(2,18)19)11-7-10-15-12-14(17)13-8-5-4-6-9-13/h4-6,8-9,14-15,17H,3,7,10-12H2,1-2H3
InChIKeyGAHKKXQBAXIPKL-UHFFFAOYSA-N
XLogP0.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-2-(3-methylsulfonylpropylamino)-1-phenylethanol
CID 93451131
N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide
CID 61015402
N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide
CID 61014241
(1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol
CID 93032029
N-ethyl-N-[3-(4-phenylbutylamino)propyl]methanesulfonamide
CID 114333227
(1S)-2-(hexylamino)-1-phenylethanol
CID 102581936
N-ethyl-N-[3-(3-phenylprop-2-ynylamino)propyl]methanesulfonamide
CID 62339519
N-ethyl-N-[3-[(2-methylphenyl)methylamino]propyl]methanesulfonamide
CID 54903438
N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide
CID 61014351
2-[2-[methyl(propan-2-yl)amino]ethylamino]-1-phenylethanol
CID 62642687
N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide
CID 82312079
N-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide
CID 54903483

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide (CID 61013662) is N-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide is CCN(CCCNCC(O)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide?
The InChIKey is GAHKKXQBAXIPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-16(20(2,18)19)11-7-10-15-12-14(17)13-8-5-4-6-9-13/h4-6,8-9,14-15,17H,3,7,10-12H2,1-2H3.
What are the key properties of N-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 61013662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).