1-[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone

C16H22N2O3S — CID 164631815

IUPAC1-[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CC2(C[C@H](N3CCOCC3)CO2)C1
InChIInChI=1S/C16H22N2O3S/c19-15(8-14-2-1-7-22-14)18-11-16(12-18)9-13(10-21-16)17-3-5-20-6-4-17/h1-2,7,13H,3-6,8-12H2/t13-/m0/s1
InChIKeyCMVMWXQVYMPTAN-ZDUSSCGKSA-N
MW322.43 g/mol
LogP0.99
Rot. Bonds3

About 1-[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone

1-[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone (PubChem CID 164631815) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone
PubChem CID164631815
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name1-[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CC2(C[C@H](N3CCOCC3)CO2)C1
InChIInChI=1S/C16H22N2O3S/c19-15(8-14-2-1-7-22-14)18-11-16(12-18)9-13(10-21-16)17-3-5-20-6-4-17/h1-2,7,13H,3-6,8-12H2/t13-/m0/s1
InChIKeyCMVMWXQVYMPTAN-ZDUSSCGKSA-N
XLogP0.99
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Tetrahydro-2-furanylcarbonyl)-4-(2-thienylacetyl)piperazine
CID 2971550
N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-N-(tetrahydro-2-furanylmethyl)-2-(2-thienyl)acetamide
CID 45202291
[3-[(Dimethylamino)methyl]morpholin-4-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 71786046
1-[3-(2-Methylpropyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 72042474
1-[(3S,3aR,7aR)-3-[(dimethylamino)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-2-thiophen-2-ylethanone
CID 97459922
1-[(5aR,9aS)-4-propan-2-yl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-2-thiophen-2-ylethanone
CID 97511328
1-[(3aR,7aR)-5-(oxolan-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-thiophen-2-ylethanone
CID 127023109
1-[(4aR,7aS)-4-(oxolan-2-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-thiophen-2-ylethanone
CID 127023866
1-(3,5-Dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 71683936
1-(3,5-Dimethylmorpholin-4-yl)-2-thiophen-2-ylpropan-1-one
CID 72004051
1-[(7S)-7-[benzyl(methyl)amino]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone
CID 164630968
1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-3-ylethanone
CID 164636350

Frequently Asked Questions

What is the IUPAC name of 1-[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone (CID 164631815) is 1-[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CC2(C[C@H](N3CCOCC3)CO2)C1.
What is the InChIKey of 1-[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone?
The InChIKey is CMVMWXQVYMPTAN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O3S/c19-15(8-14-2-1-7-22-14)18-11-16(12-18)9-13(10-21-16)17-3-5-20-6-4-17/h1-2,7,13H,3-6,8-12H2/t13-/m0/s1.
What are the key properties of 1-[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone?
1-[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone has a molecular weight of 322.43 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 164631815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).