1-(4-ethylsulfonylphenyl)-N-prop-2-enylpropan-1-amine

C14H21NO2S — CID 89189262

IUPAC1-(4-ethylsulfonylphenyl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNC(CC)c1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C14H21NO2S/c1-4-11-15-14(5-2)12-7-9-13(10-8-12)18(16,17)6-3/h4,7-10,14-15H,1,5-6,11H2,2-3H3
InChIKeyXJYDLEWPAQVMFO-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.71
Rot. Bonds7

About 1-(4-ethylsulfonylphenyl)-N-prop-2-enylpropan-1-amine

1-(4-ethylsulfonylphenyl)-N-prop-2-enylpropan-1-amine (PubChem CID 89189262) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(4-ethylsulfonylphenyl)-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound Name1-(4-ethylsulfonylphenyl)-N-prop-2-enylpropan-1-amine
PubChem CID89189262
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(4-ethylsulfonylphenyl)-N-prop-2-enylpropan-1-amine
SMILESC=CCNC(CC)c1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C14H21NO2S/c1-4-11-15-14(5-2)12-7-9-13(10-8-12)18(16,17)6-3/h4,7-10,14-15H,1,5-6,11H2,2-3H3
InChIKeyXJYDLEWPAQVMFO-UHFFFAOYSA-N
XLogP2.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285005
1-phenyl-N-prop-2-enylbutan-1-amine
CID 43177099
4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
amino-(4-ethylsulfonylphenyl)methanol
CID 116939662
amino-(4-ethylsulfonylphenyl)methanethiol
CID 116939510
1-ethylsulfonyl-4-[(Z)-oct-5-en-3-yl]benzene
CID 83927236
N-[4-[1-(4-methylphenyl)propylsulfamoyl]phenyl]acetamide
CID 22201131
1-[(4-ethylsulfonylphenyl)methylamino]ethanol
CID 175910689
N-(2,3-dimethylbutyl)-4-ethylsulfonylaniline
CID 64596945
cyclopropyl-(4-ethylsulfonylphenyl)methanamine
CID 71015786
(2R)-2-(4-bromophenyl)-2-(prop-2-enylamino)ethanol
CID 135338076
2-[2-(4-ethylsulfonylphenyl)butyl]-3-methyloxirane
CID 83927242

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfonylphenyl)-N-prop-2-enylpropan-1-amine?
The IUPAC name of 1-(4-ethylsulfonylphenyl)-N-prop-2-enylpropan-1-amine (CID 89189262) is 1-(4-ethylsulfonylphenyl)-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for 1-(4-ethylsulfonylphenyl)-N-prop-2-enylpropan-1-amine?
The canonical SMILES for 1-(4-ethylsulfonylphenyl)-N-prop-2-enylpropan-1-amine is C=CCNC(CC)c1ccc(S(=O)(=O)CC)cc1.
What is the InChIKey of 1-(4-ethylsulfonylphenyl)-N-prop-2-enylpropan-1-amine?
The InChIKey is XJYDLEWPAQVMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-4-11-15-14(5-2)12-7-9-13(10-8-12)18(16,17)6-3/h4,7-10,14-15H,1,5-6,11H2,2-3H3.
What are the key properties of 1-(4-ethylsulfonylphenyl)-N-prop-2-enylpropan-1-amine?
1-(4-ethylsulfonylphenyl)-N-prop-2-enylpropan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfonylphenyl)-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 89189262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).