N-ethyl-N-[3-(3-phenylprop-2-ynylamino)propyl]methanesulfonamide

C15H22N2O2S — CID 62339519

IUPACN-ethyl-N-[3-(3-phenylprop-2-ynylamino)propyl]methanesulfonamide
SMILESCCN(CCCNCC#Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O2S/c1-3-17(20(2,18)19)14-8-13-16-12-7-11-15-9-5-4-6-10-15/h4-6,9-10,16H,3,8,12-14H2,1-2H3
InChIKeyUYBDJHGFHHUELF-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.30
Rot. Bonds7

About N-ethyl-N-[3-(3-phenylprop-2-ynylamino)propyl]methanesulfonamide

N-ethyl-N-[3-(3-phenylprop-2-ynylamino)propyl]methanesulfonamide (PubChem CID 62339519) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-ethyl-N-[3-(3-phenylprop-2-ynylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-(3-phenylprop-2-ynylamino)propyl]methanesulfonamide
PubChem CID62339519
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-ethyl-N-[3-(3-phenylprop-2-ynylamino)propyl]methanesulfonamide
SMILESCCN(CCCNCC#Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O2S/c1-3-17(20(2,18)19)14-8-13-16-12-7-11-15-9-5-4-6-10-15/h4-6,9-10,16H,3,8,12-14H2,1-2H3
InChIKeyUYBDJHGFHHUELF-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[3-(4-phenylbutylamino)propyl]methanesulfonamide
CID 114333227
N-ethyl-N-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]methanesulfonamide
CID 61013662
N',N'-diethyl-N-(3-phenylprop-2-ynyl)ethane-1,2-diamine;dihydrochloride
CID 17295622
N-ethyl-N-[3-[(2-methylphenyl)methylamino]propyl]methanesulfonamide
CID 54903438
3-phenyl-N-propylprop-2-yn-1-amine
CID 4717506
N-ethyl-N-[3-[(4-methylphenyl)methylamino]propyl]methanesulfonamide
CID 54903483
N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide
CID 61015402
N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide
CID 61014351
N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide
CID 61014241
3-[[3-[ethyl(methylsulfonyl)amino]propylamino]methyl]furan-2-carboxylic acid
CID 103241515
N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide
CID 65093412
N-ethyl-N-[3-[(4-nitrophenyl)methylamino]propyl]methanesulfonamide
CID 61014886

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-(3-phenylprop-2-ynylamino)propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-(3-phenylprop-2-ynylamino)propyl]methanesulfonamide (CID 62339519) is N-ethyl-N-[3-(3-phenylprop-2-ynylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-(3-phenylprop-2-ynylamino)propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-(3-phenylprop-2-ynylamino)propyl]methanesulfonamide is CCN(CCCNCC#Cc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-(3-phenylprop-2-ynylamino)propyl]methanesulfonamide?
The InChIKey is UYBDJHGFHHUELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-17(20(2,18)19)14-8-13-16-12-7-11-15-9-5-4-6-10-15/h4-6,9-10,16H,3,8,12-14H2,1-2H3.
What are the key properties of N-ethyl-N-[3-(3-phenylprop-2-ynylamino)propyl]methanesulfonamide?
N-ethyl-N-[3-(3-phenylprop-2-ynylamino)propyl]methanesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(3-phenylprop-2-ynylamino)propyl]methanesulfonamide is sourced from PubChem (CID 62339519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).