N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide

C15H26N2O2S — CID 61015402

IUPACN-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide
SMILESCCC(NCCCN(CC)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-4-15(14-10-7-6-8-11-14)16-12-9-13-17(5-2)20(3,18)19/h6-8,10-11,15-16H,4-5,9,12-13H2,1-3H3
InChIKeyXXJFQWANKHNXBC-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.40
Rot. Bonds9

About N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide

N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide (PubChem CID 61015402) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide
PubChem CID61015402
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide
SMILESCCC(NCCCN(CC)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C15H26N2O2S/c1-4-15(14-10-7-6-8-11-14)16-12-9-13-17(5-2)20(3,18)19/h6-8,10-11,15-16H,4-5,9,12-13H2,1-3H3
InChIKeyXXJFQWANKHNXBC-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[3-[1-(2-hydroxyphenyl)propylamino]propyl]methanesulfonamide
CID 61013782
N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide
CID 61014241
N-ethyl-N-[3-[1-(furan-2-yl)propylamino]propyl]methanesulfonamide
CID 55098017
N-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide
CID 61013662
N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide
CID 61014351
5-(1-phenylpropylamino)pentan-1-ol
CID 62305220
N-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide
CID 61014614
5-(1-phenylpropylamino)pentanamide
CID 103529788
N'-(1-phenylpropyl)propane-1,3-diamine
CID 60889497
N-ethyl-N-[3-(4-phenylbutylamino)propyl]methanesulfonamide
CID 114333227
N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide
CID 61015400
N-ethyl-N-[3-(hexan-3-ylamino)propyl]methanesulfonamide
CID 103921027

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide (CID 61015402) is N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide is CCC(NCCCN(CC)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide?
The InChIKey is XXJFQWANKHNXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-15(14-10-7-6-8-11-14)16-12-9-13-17(5-2)20(3,18)19/h6-8,10-11,15-16H,4-5,9,12-13H2,1-3H3.
What are the key properties of N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide?
N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide is sourced from PubChem (CID 61015402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).