(5R)-9-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C14H16N2O5S — CID 95722187

IUPAC(5R)-9-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESO=C1NC[C@@]2(CCCN(C(=O)c3scc4c3OCCO4)C2)O1
InChIInChI=1S/C14H16N2O5S/c17-12(11-10-9(6-22-11)19-4-5-20-10)16-3-1-2-14(8-16)7-15-13(18)21-14/h6H,1-5,7-8H2,(H,15,18)/t14-/m1/s1
InChIKeyKSONDBMEECCYCN-CQSZACIVSA-N
MW324.36 g/mol
LogP1.23
Rot. Bonds1

About (5R)-9-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5R)-9-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95722187) has the molecular formula C14H16N2O5S and a molecular weight of 324.36 g/mol. Its IUPAC name is (5R)-9-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R)-9-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95722187
Molecular FormulaC14H16N2O5S
Molecular Weight324.36 g/mol
Exact Mass324.08
IUPAC Name(5R)-9-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESO=C1NC[C@@]2(CCCN(C(=O)c3scc4c3OCCO4)C2)O1
InChIInChI=1S/C14H16N2O5S/c17-12(11-10-9(6-22-11)19-4-5-20-10)16-3-1-2-14(8-16)7-15-13(18)21-14/h6H,1-5,7-8H2,(H,15,18)/t14-/m1/s1
InChIKeyKSONDBMEECCYCN-CQSZACIVSA-N
XLogP1.23
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-9-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

(5R)-9-(2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95714799
9-[3-(2,3-dihydro-1-benzofuran-4-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 170511647
9-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 155508952
(5R)-9-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95720663
9-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56906703
9-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77095524
9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56896758
(5R)-9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99928590
9-(2-amino-6-methylpyrimidine-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77080948
(9aS)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95131200
9-[2-(hydroxymethyl)-3H-benzimidazole-5-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56908215
(5R)-9-[2-(3,4-dichlorophenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95713114

Frequently Asked Questions

What is the IUPAC name of (5R)-9-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R)-9-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95722187) is (5R)-9-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R)-9-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R)-9-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is O=C1NC[C@@]2(CCCN(C(=O)c3scc4c3OCCO4)C2)O1.
What is the InChIKey of (5R)-9-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is KSONDBMEECCYCN-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16N2O5S/c17-12(11-10-9(6-22-11)19-4-5-20-10)16-3-1-2-14(8-16)7-15-13(18)21-14/h6H,1-5,7-8H2,(H,15,18)/t14-/m1/s1.
What are the key properties of (5R)-9-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5R)-9-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 324.36 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95722187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).