(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-amine

C17H19NO2S — CID 10086234

IUPAC(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-amine
SMILESN[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1
InChIInChI=1S/C17H19NO2S/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17/h1-10,13-14,16H,11-12,18H2/b14-13+/t16-/m0/s1
InChIKeyZPXIQFOUPUVVPU-VUSFMPOISA-N
MW301.41 g/mol
LogP2.93
Rot. Bonds6

About (E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-amine

(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-amine (PubChem CID 10086234) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is (E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-amine.

Molecular Properties

Compound Name(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-amine
PubChem CID10086234
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-amine
SMILESN[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1
InChIInChI=1S/C17H19NO2S/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17/h1-10,13-14,16H,11-12,18H2/b14-13+/t16-/m0/s1
InChIKeyZPXIQFOUPUVVPU-VUSFMPOISA-N
XLogP2.93
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Phenylethyl)benzenesulfonamide
CID 99969
2-(3-Benzenesulfonyl)phenyl-1-aminoethane
CID 11849199
2-(4-(Benzenesulfonyl)phenyl)-1-aminoethane
CID 44414681
1-(4-Benzylsulfanyl-phenyl)-propylamine
CID 46882993
2-fluoro-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3715583
(1-Methyl-3-phenylpropyl)(phenylsulfonyl)amine
CID 2914449
N-Phenethylbenzenesulfonamide
CID 254130
N-(3-phenylpropyl)benzenesulfonamide
CID 3600699
N-{2-[(4-methylbenzyl)sulfanyl]ethyl}benzenesulfonamide
CID 2899493
4-methyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 2916062
N-(3,4-dihydro-2H-thiochromen-4-yl)benzenesulfonamide
CID 16306134
1-(4-(Methylsulfonyl)phenyl)propan-2-amine
CID 10890308

Frequently Asked Questions

What is the IUPAC name of (E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-amine?
The IUPAC name of (E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-amine (CID 10086234) is (E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-amine.
What is the SMILES notation for (E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-amine?
The canonical SMILES for (E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-amine is N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1.
What is the InChIKey of (E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-amine?
The InChIKey is ZPXIQFOUPUVVPU-VUSFMPOISA-N. The full InChI is InChI=1S/C17H19NO2S/c18-16(12-11-15-7-3-1-4-8-15)13-14-21(19,20)17-9-5-2-6-10-17/h1-10,13-14,16H,11-12,18H2/b14-13+/t16-/m0/s1.
What are the key properties of (E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-amine?
(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-amine has a molecular weight of 301.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-amine is sourced from PubChem (CID 10086234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).