1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

C19H26N2O3S — CID 125003317

IUPAC1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESCO[C@@H]1CCN(CC(=O)N2CCSc3ccccc32)C[C@@]12CCCO2
InChIInChI=1S/C19H26N2O3S/c1-23-17-7-9-20(14-19(17)8-4-11-24-19)13-18(22)21-10-12-25-16-6-3-2-5-15(16)21/h2-3,5-6,17H,4,7-14H2,1H3/t17-,19+/m1/s1
InChIKeySQSMBPMUFGUTNV-MJGOQNOKSA-N
MW362.50 g/mol
LogP2.40
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (PubChem CID 125003317) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
PubChem CID125003317
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESCO[C@@H]1CCN(CC(=O)N2CCSc3ccccc32)C[C@@]12CCCO2
InChIInChI=1S/C19H26N2O3S/c1-23-17-7-9-20(14-19(17)8-4-11-24-19)13-18(22)21-10-12-25-16-6-3-2-5-15(16)21/h2-3,5-6,17H,4,7-14H2,1H3/t17-,19+/m1/s1
InChIKeySQSMBPMUFGUTNV-MJGOQNOKSA-N
XLogP2.40
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone with MolForge

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Related Compounds

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 110167306
1-(2,3-dihydroindol-1-yl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 124939634
2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-1-pyrrolidin-1-ylethanone
CID 110159396
2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-naphthalen-1-ylacetamide
CID 124982967
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 103898182
2-(6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 110167206
N-(2-methoxy-5-methylphenyl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125002684
N-(2-fluoro-5-methylphenyl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 110162122
N-[4-(difluoromethoxy)phenyl]-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125025487
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 51104449
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 104975373
2-[2-(aminomethyl)morpholin-4-yl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 114395295

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The IUPAC name of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (CID 125003317) is 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is CO[C@@H]1CCN(CC(=O)N2CCSc3ccccc32)C[C@@]12CCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The InChIKey is SQSMBPMUFGUTNV-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-23-17-7-9-20(14-19(17)8-4-11-24-19)13-18(22)21-10-12-25-16-6-3-2-5-15(16)21/h2-3,5-6,17H,4,7-14H2,1H3/t17-,19+/m1/s1.
What are the key properties of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone has a molecular weight of 362.50 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(5S,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is sourced from PubChem (CID 125003317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).