(2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine

C16H26N2OS — CID 99602446

IUPAC(2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine
SMILESCSC[C@@H](NC[C@@H](C)N1CCOCC1)c1ccccc1
InChIInChI=1S/C16H26N2OS/c1-14(18-8-10-19-11-9-18)12-17-16(13-20-2)15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3/t14-,16-/m1/s1
InChIKeyYGXJXLCHIRZDQN-GDBMZVCRSA-N
MW294.46 g/mol
LogP2.40
Rot. Bonds7

About (2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine

(2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine (PubChem CID 99602446) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is (2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name(2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine
PubChem CID99602446
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name(2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine
SMILESCSC[C@@H](NC[C@@H](C)N1CCOCC1)c1ccccc1
InChIInChI=1S/C16H26N2OS/c1-14(18-8-10-19-11-9-18)12-17-16(13-20-2)15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3/t14-,16-/m1/s1
InChIKeyYGXJXLCHIRZDQN-GDBMZVCRSA-N
XLogP2.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine with MolForge

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Related Compounds

1-(2-hydroxy-1-phenylethyl)-3-(2-morpholin-4-ylpropyl)urea
CID 87003592
(2S)-N-[(1S)-1-(3-methylphenyl)ethyl]-2-morpholin-4-ylpropan-1-amine
CID 97229499
1-phenyl-N-(2-piperidin-1-ylpropyl)butan-1-amine
CID 61010867
3-methyl-N-(2-morpholin-4-ylpropyl)-1-pyridin-2-ylbutan-1-amine
CID 75382516
1-phenyl-N-(2-pyrrolidin-1-ylpropyl)pentan-1-amine
CID 79139729
4-[(2R)-1-phenylpropan-2-yl]morpholine
CID 71110957
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
(1S)-N-[(1-methylpiperidin-4-yl)methyl]-2-methylsulfanyl-1-phenylethanamine
CID 99615093
1-(dimethylamino)-3-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]propan-2-ol
CID 111755508
N-[(2R)-2-morpholin-4-ylpropyl]-4-phenylbenzenesulfonamide
CID 39835568
N-ethyl-2-morpholin-4-yl-2-phenylethanamine;molecular hydrogen
CID 144767437

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of (2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine (CID 99602446) is (2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for (2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for (2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine is CSC[C@@H](NC[C@@H](C)N1CCOCC1)c1ccccc1.
What is the InChIKey of (2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine?
The InChIKey is YGXJXLCHIRZDQN-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-14(18-8-10-19-11-9-18)12-17-16(13-20-2)15-6-4-3-5-7-15/h3-7,14,16-17H,8-13H2,1-2H3/t14-,16-/m1/s1.
What are the key properties of (2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine?
(2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine has a molecular weight of 294.46 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-2-methylsulfanyl-1-phenylethyl]-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 99602446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).