N-[(E)-3-phenylprop-2-enyl]-4-thiomorpholin-4-ylaniline

C19H22N2S — CID 6476084

IUPACN-[(E)-3-phenylprop-2-enyl]-4-thiomorpholin-4-ylaniline
SMILESC(=C/c1ccccc1)\CNc1ccc(N2CCSCC2)cc1
InChIInChI=1S/C19H22N2S/c1-2-5-17(6-3-1)7-4-12-20-18-8-10-19(11-9-18)21-13-15-22-16-14-21/h1-11,20H,12-16H2/b7-4+
InChIKeyDHGBYVDWNRSKPX-QPJJXVBHSA-N
MW310.47 g/mol
LogP4.37
Rot. Bonds5

About N-[(E)-3-phenylprop-2-enyl]-4-thiomorpholin-4-ylaniline

N-[(E)-3-phenylprop-2-enyl]-4-thiomorpholin-4-ylaniline (PubChem CID 6476084) has the molecular formula C19H22N2S and a molecular weight of 310.47 g/mol. Its IUPAC name is N-[(E)-3-phenylprop-2-enyl]-4-thiomorpholin-4-ylaniline.

Molecular Properties

Compound NameN-[(E)-3-phenylprop-2-enyl]-4-thiomorpholin-4-ylaniline
PubChem CID6476084
Molecular FormulaC19H22N2S
Molecular Weight310.47 g/mol
Exact Mass310.15
IUPAC NameN-[(E)-3-phenylprop-2-enyl]-4-thiomorpholin-4-ylaniline
SMILESC(=C/c1ccccc1)\CNc1ccc(N2CCSCC2)cc1
InChIInChI=1S/C19H22N2S/c1-2-5-17(6-3-1)7-4-12-20-18-8-10-19(11-9-18)21-13-15-22-16-14-21/h1-11,20H,12-16H2/b7-4+
InChIKeyDHGBYVDWNRSKPX-QPJJXVBHSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[(E)-3-phenylprop-2-enyl]-4-thiomorpholin-4-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Despropionyl meta-fluorofentanyl
CID 23741730
N-phenyl-1-(2-phenylethyl)-4-piperidinamine
CID 88890
N-Phenyl-1-(phenylmethyl)-4-piperidinamine
CID 70865
N,N-Dimethyl-4-(2-thiazolidinyl)benzenamine
CID 120774
N-[4-(4-benzyl-1-piperazinyl)phenyl]-N-(4-fluorobenzyl)amine
CID 1017283
N,N-dimethyl-4-{[(4-methylphenyl)amino]methyl}aniline
CID 292407
1-(3-(Phenylthio)propyl)-4-m-tolylpiperazine
CID 10245844
1-benzyl-N-(2-fluorophenyl)piperidin-4-amine
CID 867403
1-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-3-phenyl-thiourea
CID 10066674
1-(2-p-Tolylsulfanyl-phenyl)-piperazine Hydrochloride
CID 21864917
Benzylphenylpiperazine
CID 49798171
4-(2-benzylpiperazin-1-yl)-N-methylaniline
CID 49798172

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-phenylprop-2-enyl]-4-thiomorpholin-4-ylaniline?
The IUPAC name of N-[(E)-3-phenylprop-2-enyl]-4-thiomorpholin-4-ylaniline (CID 6476084) is N-[(E)-3-phenylprop-2-enyl]-4-thiomorpholin-4-ylaniline.
What is the SMILES notation for N-[(E)-3-phenylprop-2-enyl]-4-thiomorpholin-4-ylaniline?
The canonical SMILES for N-[(E)-3-phenylprop-2-enyl]-4-thiomorpholin-4-ylaniline is C(=C/c1ccccc1)\CNc1ccc(N2CCSCC2)cc1.
What is the InChIKey of N-[(E)-3-phenylprop-2-enyl]-4-thiomorpholin-4-ylaniline?
The InChIKey is DHGBYVDWNRSKPX-QPJJXVBHSA-N. The full InChI is InChI=1S/C19H22N2S/c1-2-5-17(6-3-1)7-4-12-20-18-8-10-19(11-9-18)21-13-15-22-16-14-21/h1-11,20H,12-16H2/b7-4+.
What are the key properties of N-[(E)-3-phenylprop-2-enyl]-4-thiomorpholin-4-ylaniline?
N-[(E)-3-phenylprop-2-enyl]-4-thiomorpholin-4-ylaniline has a molecular weight of 310.47 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-phenylprop-2-enyl]-4-thiomorpholin-4-ylaniline is sourced from PubChem (CID 6476084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).