[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone

C15H20N2O3S — CID 164640453

IUPAC[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC2(C[C@H](N3CCOCC3)CO2)C1
InChIInChI=1S/C15H20N2O3S/c18-14(12-1-6-21-9-12)17-10-15(11-17)7-13(8-20-15)16-2-4-19-5-3-16/h1,6,9,13H,2-5,7-8,10-11H2/t13-/m0/s1
InChIKeyIDTZFLXFVIBMHZ-ZDUSSCGKSA-N
MW308.40 g/mol
LogP1.06
Rot. Bonds2

About [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone

[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone (PubChem CID 164640453) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone
PubChem CID164640453
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC2(C[C@H](N3CCOCC3)CO2)C1
InChIInChI=1S/C15H20N2O3S/c18-14(12-1-6-21-9-12)17-10-15(11-17)7-13(8-20-15)16-2-4-19-5-3-16/h1,6,9,13H,2-5,7-8,10-11H2/t13-/m0/s1
InChIKeyIDTZFLXFVIBMHZ-ZDUSSCGKSA-N
XLogP1.06
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone (CID 164640453) is [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CC2(C[C@H](N3CCOCC3)CO2)C1.
What is the InChIKey of [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone?
The InChIKey is IDTZFLXFVIBMHZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-14(12-1-6-21-9-12)17-10-15(11-17)7-13(8-20-15)16-2-4-19-5-3-16/h1,6,9,13H,2-5,7-8,10-11H2/t13-/m0/s1.
What are the key properties of [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone?
[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone has a molecular weight of 308.40 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 164640453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).