(Z)-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylprop-2-en-1-amine

C19H28N2OS — CID 119108239

IUPAC(Z)-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylprop-2-en-1-amine
SMILESC/C(=C/c1ccccc1)CNCC1(N2CCOCC2)CCSC1
InChIInChI=1S/C19H28N2OS/c1-17(13-18-5-3-2-4-6-18)14-20-15-19(7-12-23-16-19)21-8-10-22-11-9-21/h2-6,13,20H,7-12,14-16H2,1H3/b17-13-
InChIKeyKFOAMYZZBFSYDB-LGMDPLHJSA-N
MW332.51 g/mol
LogP2.89
Rot. Bonds6

About (Z)-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylprop-2-en-1-amine

(Z)-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylprop-2-en-1-amine (PubChem CID 119108239) has the molecular formula C19H28N2OS and a molecular weight of 332.51 g/mol. Its IUPAC name is (Z)-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylprop-2-en-1-amine
PubChem CID119108239
Molecular FormulaC19H28N2OS
Molecular Weight332.51 g/mol
Exact Mass332.19
IUPAC Name(Z)-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylprop-2-en-1-amine
SMILESC/C(=C/c1ccccc1)CNCC1(N2CCOCC2)CCSC1
InChIInChI=1S/C19H28N2OS/c1-17(13-18-5-3-2-4-6-18)14-20-15-19(7-12-23-16-19)21-8-10-22-11-9-21/h2-6,13,20H,7-12,14-16H2,1H3/b17-13-
InChIKeyKFOAMYZZBFSYDB-LGMDPLHJSA-N
XLogP2.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]methanamine
CID 86843080
2-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119862768
2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 39156035
2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55696476
4-benzamido-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]benzamide
CID 55658360
2-methyl-1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110947889
2-benzhydryloxy-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154623
2-benzhydryloxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154620
3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]benzonitrile
CID 95582569
N'-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylpyrrolidine-1-carboximidamide
CID 111723939
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 51125025

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylprop-2-en-1-amine?
The IUPAC name of (Z)-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylprop-2-en-1-amine (CID 119108239) is (Z)-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylprop-2-en-1-amine.
What is the SMILES notation for (Z)-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylprop-2-en-1-amine?
The canonical SMILES for (Z)-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylprop-2-en-1-amine is C/C(=C/c1ccccc1)CNCC1(N2CCOCC2)CCSC1.
What is the InChIKey of (Z)-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylprop-2-en-1-amine?
The InChIKey is KFOAMYZZBFSYDB-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H28N2OS/c1-17(13-18-5-3-2-4-6-18)14-20-15-19(7-12-23-16-19)21-8-10-22-11-9-21/h2-6,13,20H,7-12,14-16H2,1H3/b17-13-.
What are the key properties of (Z)-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylprop-2-en-1-amine?
(Z)-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylprop-2-en-1-amine has a molecular weight of 332.51 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 119108239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).