N-ethyl-N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]methanesulfonamide

C15H26N2O3S — CID 61013782

IUPACN-ethyl-N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]methanesulfonamide
SMILESCCC(NCCCN(CC)S(C)(=O)=O)c1ccccc1O
InChIInChI=1S/C15H26N2O3S/c1-4-14(13-9-6-7-10-15(13)18)16-11-8-12-17(5-2)21(3,19)20/h6-7,9-10,14,16,18H,4-5,8,11-12H2,1-3H3
InChIKeyBLJFLHZBYLYXFJ-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.10
Rot. Bonds9

About N-ethyl-N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]methanesulfonamide

N-ethyl-N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]methanesulfonamide (PubChem CID 61013782) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-ethyl-N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]methanesulfonamide
PubChem CID61013782
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-ethyl-N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]methanesulfonamide
SMILESCCC(NCCCN(CC)S(C)(=O)=O)c1ccccc1O
InChIInChI=1S/C15H26N2O3S/c1-4-14(13-9-6-7-10-15(13)18)16-11-8-12-17(5-2)21(3,19)20/h6-7,9-10,14,16,18H,4-5,8,11-12H2,1-3H3
InChIKeyBLJFLHZBYLYXFJ-UHFFFAOYSA-N
XLogP2.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide
CID 61015402
N-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide
CID 55098017
2-[1-(2-methylsulfonylethylamino)propyl]phenol
CID 54931599
N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide
CID 61014241
tert-butyl N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]-N-methylcarbamate
CID 104924777
N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide
CID 61014351
N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide
CID 61015400
2-[1-(3-cyclopentylpropylamino)propyl]phenol
CID 106008970
2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol
CID 43205645
N-ethyl-N-[3-(hexan-3-ylamino)propyl]methanesulfonamide
CID 103921027
N-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide
CID 61013662
2-[1-[2-[2-methoxyethyl(methyl)amino]ethylamino]propyl]phenol
CID 62844463

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]methanesulfonamide (CID 61013782) is N-ethyl-N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]methanesulfonamide is CCC(NCCCN(CC)S(C)(=O)=O)c1ccccc1O.
What is the InChIKey of N-ethyl-N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]methanesulfonamide?
The InChIKey is BLJFLHZBYLYXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-14(13-9-6-7-10-15(13)18)16-11-8-12-17(5-2)21(3,19)20/h6-7,9-10,14,16,18H,4-5,8,11-12H2,1-3H3.
What are the key properties of N-ethyl-N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]methanesulfonamide?
N-ethyl-N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]methanesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.10, 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-[1-(2-hydroxyphenyl)propylamino]propyl]methanesulfonamide is sourced from PubChem (CID 61013782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).