N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxane-4-carboxamide

C16H24N2O3S — CID 124878531

IUPACN-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxane-4-carboxamide
SMILESO=C(NC[C@H](c1ccoc1)N1CCSCC1)C1CCOCC1
InChIInChI=1S/C16H24N2O3S/c19-16(13-1-6-20-7-2-13)17-11-15(14-3-8-21-12-14)18-4-9-22-10-5-18/h3,8,12-13,15H,1-2,4-7,9-11H2,(H,17,19)/t15-/m1/s1
InChIKeyZDWXYKVKSZDIDQ-OAHLLOKOSA-N
MW324.45 g/mol
LogP1.91
Rot. Bonds5

About N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxane-4-carboxamide

N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxane-4-carboxamide (PubChem CID 124878531) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxane-4-carboxamide
PubChem CID124878531
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxane-4-carboxamide
SMILESO=C(NC[C@H](c1ccoc1)N1CCSCC1)C1CCOCC1
InChIInChI=1S/C16H24N2O3S/c19-16(13-1-6-20-7-2-13)17-11-15(14-3-8-21-12-14)18-4-9-22-10-5-18/h3,8,12-13,15H,1-2,4-7,9-11H2,(H,17,19)/t15-/m1/s1
InChIKeyZDWXYKVKSZDIDQ-OAHLLOKOSA-N
XLogP1.91
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]acetamide
CID 124878348
N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]furan-2-carboxamide
CID 124760075
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2-oxoimidazolidine-1-carboxamide
CID 124874264
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]thiophene-3-carboxamide
CID 124874245
(E)-3-(furan-3-yl)-N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide
CID 124760459
N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-N-(2-methoxyethyl)oxamide
CID 124878570
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide
CID 124873494
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxamide
CID 124875632
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)cyclopropanecarboxamide
CID 16931690
N-[(2R)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]-2,5-dimethylfuran-3-carboxamide
CID 124760721

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxane-4-carboxamide?
The IUPAC name of N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxane-4-carboxamide (CID 124878531) is N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxane-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxane-4-carboxamide is O=C(NC[C@H](c1ccoc1)N1CCSCC1)C1CCOCC1.
What is the InChIKey of N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxane-4-carboxamide?
The InChIKey is ZDWXYKVKSZDIDQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N2O3S/c19-16(13-1-6-20-7-2-13)17-11-15(14-3-8-21-12-14)18-4-9-22-10-5-18/h3,8,12-13,15H,1-2,4-7,9-11H2,(H,17,19)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxane-4-carboxamide?
N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxane-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-3-yl)-2-thiomorpholin-4-ylethyl]oxane-4-carboxamide is sourced from PubChem (CID 124878531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).