1-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-2-amine

C15H24N2OS — CID 79222698

IUPAC1-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-2-amine
SMILESCC(CN1CCOCC1)NCCSc1ccccc1
InChIInChI=1S/C15H24N2OS/c1-14(13-17-8-10-18-11-9-17)16-7-12-19-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3
InChIKeyLFINNVYPPQELIO-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.09
Rot. Bonds7

About 1-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-2-amine

1-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-2-amine (PubChem CID 79222698) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-2-amine.

Molecular Properties

Compound Name1-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-2-amine
PubChem CID79222698
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-2-amine
SMILESCC(CN1CCOCC1)NCCSc1ccccc1
InChIInChI=1S/C15H24N2OS/c1-14(13-17-8-10-18-11-9-17)16-7-12-19-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3
InChIKeyLFINNVYPPQELIO-UHFFFAOYSA-N
XLogP2.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-N-(2-phenylsulfanylethyl)propane-1,2-diamine
CID 104867871
N-(2,2-difluoro-2-phenylethyl)-1-morpholin-4-ylpropan-2-amine
CID 116788942
4-methylsulfanyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
CID 103087400
N-(2-fluoroethyl)-1-morpholin-4-ylpropan-2-amine
CID 80694695
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
4-(4-phenylsulfanylbutyl)morpholine
CID 2993740
N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
CID 43675929
1-morpholin-4-yl-N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 119126800
4-[(2R)-2-(4-phenylphenyl)propyl]morpholine
CID 96566967
4-phenyl-N-(2-phenylsulfanylethyl)butan-2-amine
CID 60975904
2-methyl-1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111372400
N-(3-fluoropropyl)-1-morpholin-4-ylpropan-2-amine
CID 81105734

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-2-amine?
The IUPAC name of 1-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-2-amine (CID 79222698) is 1-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-2-amine.
What is the SMILES notation for 1-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-2-amine?
The canonical SMILES for 1-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-2-amine is CC(CN1CCOCC1)NCCSc1ccccc1.
What is the InChIKey of 1-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-2-amine?
The InChIKey is LFINNVYPPQELIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-14(13-17-8-10-18-11-9-17)16-7-12-19-15-5-3-2-4-6-15/h2-6,14,16H,7-13H2,1H3.
What are the key properties of 1-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-2-amine?
1-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-2-amine has a molecular weight of 280.44 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-2-amine is sourced from PubChem (CID 79222698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).