(2S)-2-(cyclohexylamino)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one

C19H28N2OS — CID 66546555

IUPAC(2S)-2-(cyclohexylamino)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one
SMILESO=C([C@H](Cc1ccccc1)NC1CCCCC1)N1CCSCC1
InChIInChI=1S/C19H28N2OS/c22-19(21-11-13-23-14-12-21)18(15-16-7-3-1-4-8-16)20-17-9-5-2-6-10-17/h1,3-4,7-8,17-18,20H,2,5-6,9-15H2/t18-/m0/s1
InChIKeyBPRNUOXYOLSQEW-SFHVURJKSA-N
MW332.51 g/mol
LogP3.10
Rot. Bonds5

About (2S)-2-(cyclohexylamino)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one

(2S)-2-(cyclohexylamino)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one (PubChem CID 66546555) has the molecular formula C19H28N2OS and a molecular weight of 332.51 g/mol. Its IUPAC name is (2S)-2-(cyclohexylamino)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-(cyclohexylamino)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one
PubChem CID66546555
Molecular FormulaC19H28N2OS
Molecular Weight332.51 g/mol
Exact Mass332.19
IUPAC Name(2S)-2-(cyclohexylamino)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one
SMILESO=C([C@H](Cc1ccccc1)NC1CCCCC1)N1CCSCC1
InChIInChI=1S/C19H28N2OS/c22-19(21-11-13-23-14-12-21)18(15-16-7-3-1-4-8-16)20-17-9-5-2-6-10-17/h1,3-4,7-8,17-18,20H,2,5-6,9-15H2/t18-/m0/s1
InChIKeyBPRNUOXYOLSQEW-SFHVURJKSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354
(2S)-2-(3-aminopropylamino)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;dihydrochloride
CID 66546560
(2R)-2-isocyano-3-phenyl-1-thiomorpholin-4-ylpropan-1-one
CID 90702551
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 110347396
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
2-(cyclopropylamino)-3-phenylpropanamide
CID 60796180
N-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119488269
(2R)-2-[(1-acetylpiperidin-4-yl)amino]-3-(4-chlorophenyl)-1-piperidin-1-ylpropan-1-one
CID 141138264
methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389
N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 30823870
N-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 166257021
2-(cyclopentylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 18352519

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohexylamino)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-(cyclohexylamino)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one (CID 66546555) is (2S)-2-(cyclohexylamino)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-(cyclohexylamino)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-(cyclohexylamino)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one is O=C([C@H](Cc1ccccc1)NC1CCCCC1)N1CCSCC1.
What is the InChIKey of (2S)-2-(cyclohexylamino)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one?
The InChIKey is BPRNUOXYOLSQEW-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28N2OS/c22-19(21-11-13-23-14-12-21)18(15-16-7-3-1-4-8-16)20-17-9-5-2-6-10-17/h1,3-4,7-8,17-18,20H,2,5-6,9-15H2/t18-/m0/s1.
What are the key properties of (2S)-2-(cyclohexylamino)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one?
(2S)-2-(cyclohexylamino)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one has a molecular weight of 332.51 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexylamino)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 66546555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).