N-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine

C14H23NO2S — CID 55154070

IUPACN-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine
SMILESCCS(=O)(=O)CCNCCC(C)c1ccccc1
InChIInChI=1S/C14H23NO2S/c1-3-18(16,17)12-11-15-10-9-13(2)14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3
InChIKeyZWWCFNRDESURIJ-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.20
Rot. Bonds8

About N-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine

N-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine (PubChem CID 55154070) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine
PubChem CID55154070
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine
SMILESCCS(=O)(=O)CCNCCC(C)c1ccccc1
InChIInChI=1S/C14H23NO2S/c1-3-18(16,17)12-11-15-10-9-13(2)14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3
InChIKeyZWWCFNRDESURIJ-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.20
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-phenylbutyl)hexan-1-amine
CID 63420973
5-(3-phenylbutylamino)pentan-2-ol
CID 107272084
2,2-dimethyl-4-(3-phenylbutylamino)butanoic acid
CID 122084441
N,N-dimethyl-2-[(3-phenylbutylamino)methyl]benzenesulfonamide
CID 119142078
1-(2-ethylsulfonylethyl)-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111343040
1-ethylsulfonyl-6-phenylheptan-4-ol
CID 65150364
4-amino-N-(3-phenylbutyl)benzenesulfonamide
CID 62986614
pentan-2-ylbenzene
CID 17627
2-amino-4-methylsulfonyl-N-(3-phenylbutyl)butanamide
CID 62987343
3-phenyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butan-1-amine
CID 79352188
N-(2-cyclopropylpropyl)-3-phenylbutan-1-amine
CID 113474995
N-(2-phenylpropyl)methanesulfonamide
CID 47121755

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine (CID 55154070) is N-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine is CCS(=O)(=O)CCNCCC(C)c1ccccc1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine?
The InChIKey is ZWWCFNRDESURIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-3-18(16,17)12-11-15-10-9-13(2)14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3.
What are the key properties of N-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine?
N-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-3-phenylbutan-1-amine is sourced from PubChem (CID 55154070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).