N-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide

C14H23FN2O2S — CID 61014614

IUPACN-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide
SMILESCCN(CCCNC(C)c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C14H23FN2O2S/c1-4-17(20(3,18)19)11-5-10-16-12(2)13-6-8-14(15)9-7-13/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyVFDMSEPKEGPJRR-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.15
Rot. Bonds8

About N-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide

N-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide (PubChem CID 61014614) has the molecular formula C14H23FN2O2S and a molecular weight of 302.41 g/mol. Its IUPAC name is N-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide
PubChem CID61014614
Molecular FormulaC14H23FN2O2S
Molecular Weight302.41 g/mol
Exact Mass302.15
IUPAC NameN-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide
SMILESCCN(CCCNC(C)c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C14H23FN2O2S/c1-4-17(20(3,18)19)11-5-10-16-12(2)13-6-8-14(15)9-7-13/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyVFDMSEPKEGPJRR-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.15
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-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide
CID 61015400
(1R)-N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)ethanamine
CID 81347805
N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide
CID 61014241
N-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide
CID 63993076
N'-ethyl-N-[1-(4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62635712
N-[3-[1-(2,5-dichlorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide
CID 61013535
N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide
CID 61015402
N,N-diethyl-4-[1-(2-hydroxyethylamino)ethyl]benzenesulfonamide
CID 111750198
N-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide
CID 54903725
N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine
CID 60887762
N-[3-[1-(4-bromophenyl)propan-2-ylamino]propyl]-N-ethylmethanesulfonamide
CID 103522177
N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide
CID 61014351

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide (CID 61014614) is N-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide is CCN(CCCNC(C)c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide?
The InChIKey is VFDMSEPKEGPJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-4-17(20(3,18)19)11-5-10-16-12(2)13-6-8-14(15)9-7-13/h6-9,12,16H,4-5,10-11H2,1-3H3.
What are the key properties of N-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide?
N-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide has a molecular weight of 302.41 g/mol, XLogP of 2.15, 8 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-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide is sourced from PubChem (CID 61014614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).