3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]propanal

C23H29NO4S — CID 22819981

IUPAC3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]propanal
SMILESO=CCC[C@H]1[C@H](N2CCOCC2)[C@@H](O)C[C@H]1OCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C23H29NO4S/c25-10-4-7-20-22(14-21(26)23(20)24-8-11-27-12-9-24)28-15-19-13-18(16-29-19)17-5-2-1-3-6-17/h1-3,5-6,10,13,16,20-23,26H,4,7-9,11-12,14-15H2/t20-,21+,22-,23+/m1/s1
InChIKeyMUZXEKQNMCGRTM-ACESQOTJSA-N
MW415.56 g/mol
LogP3.36
Rot. Bonds8

About 3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]propanal

3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]propanal (PubChem CID 22819981) has the molecular formula C23H29NO4S and a molecular weight of 415.56 g/mol. Its IUPAC name is 3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]propanal.

Molecular Properties

Compound Name3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]propanal
PubChem CID22819981
Molecular FormulaC23H29NO4S
Molecular Weight415.56 g/mol
Exact Mass415.18
IUPAC Name3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]propanal
SMILESO=CCC[C@H]1[C@H](N2CCOCC2)[C@@H](O)C[C@H]1OCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C23H29NO4S/c25-10-4-7-20-22(14-21(26)23(20)24-8-11-27-12-9-24)28-15-19-13-18(16-29-19)17-5-2-1-3-6-17/h1-3,5-6,10,13,16,20-23,26H,4,7-9,11-12,14-15H2/t20-,21+,22-,23+/m1/s1
InChIKeyMUZXEKQNMCGRTM-ACESQOTJSA-N
XLogP3.36
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]hept-4-enoic acid
CID 12786388
(Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-4-enoic acid
CID 12786390
8-Morpholin-4-yl-6-[(5-phenylthiophen-2-yl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one
CID 12941363
8-Morpholin-4-yl-6-[(4-thiophen-2-ylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one
CID 12941371
(E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]hept-5-enoic acid
CID 12941395
3-[(1S,2R,5R)-2-piperidin-1-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]propanal
CID 18604585
(E)-7-[5-[(4-benzylthiophen-2-yl)methoxy]-3-hydroxy-2-morpholin-4-ylcyclopentyl]hept-5-enoic acid
CID 20466498
(E)-7-[3-hydroxy-5-[(4-methylthiophen-2-yl)methoxy]-2-morpholin-4-ylcyclopentyl]hept-5-enoic acid
CID 20466501
(E)-7-[3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]hept-5-enoic acid
CID 20510359
3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(5-phenylthiophen-3-yl)methoxy]cyclopentyl]propanal
CID 22819980
3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(4-thiophen-2-ylphenyl)methoxy]cyclopentyl]propanal
CID 22821111
3-[(1S,2S,3S,5R)-3-hydroxy-5-[[4-(4-methylphenyl)phenyl]methoxy]-2-thiomorpholin-4-ylcyclopentyl]propanal
CID 22821124

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]propanal?
The IUPAC name of 3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]propanal (CID 22819981) is 3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]propanal.
What is the SMILES notation for 3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]propanal?
The canonical SMILES for 3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]propanal is O=CCC[C@H]1[C@H](N2CCOCC2)[C@@H](O)C[C@H]1OCc1cc(-c2ccccc2)cs1.
What is the InChIKey of 3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]propanal?
The InChIKey is MUZXEKQNMCGRTM-ACESQOTJSA-N. The full InChI is InChI=1S/C23H29NO4S/c25-10-4-7-20-22(14-21(26)23(20)24-8-11-27-12-9-24)28-15-19-13-18(16-29-19)17-5-2-1-3-6-17/h1-3,5-6,10,13,16,20-23,26H,4,7-9,11-12,14-15H2/t20-,21+,22-,23+/m1/s1.
What are the key properties of 3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]propanal?
3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]propanal has a molecular weight of 415.56 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2S,3S,5R)-3-hydroxy-2-morpholin-4-yl-5-[(4-phenylthiophen-2-yl)methoxy]cyclopentyl]propanal is sourced from PubChem (CID 22819981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).