(5R)-3-methyl-9-[2-(3-oxo-1,2-benzothiazol-2-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C17H19N3O4S — CID 97273752

IUPAC(5R)-3-methyl-9-[2-(3-oxo-1,2-benzothiazol-2-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1C[C@]2(CCCN(C(=O)Cn3sc4ccccc4c3=O)C2)OC1=O
InChIInChI=1S/C17H19N3O4S/c1-18-10-17(24-16(18)23)7-4-8-19(11-17)14(21)9-20-15(22)12-5-2-3-6-13(12)25-20/h2-3,5-6H,4,7-11H2,1H3/t17-/m0/s1
InChIKeyYCIOBCSIELVAFX-KRWDZBQOSA-N
MW361.42 g/mol
LogP1.51
Rot. Bonds2

About (5R)-3-methyl-9-[2-(3-oxo-1,2-benzothiazol-2-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5R)-3-methyl-9-[2-(3-oxo-1,2-benzothiazol-2-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 97273752) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is (5R)-3-methyl-9-[2-(3-oxo-1,2-benzothiazol-2-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R)-3-methyl-9-[2-(3-oxo-1,2-benzothiazol-2-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID97273752
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name(5R)-3-methyl-9-[2-(3-oxo-1,2-benzothiazol-2-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1C[C@]2(CCCN(C(=O)Cn3sc4ccccc4c3=O)C2)OC1=O
InChIInChI=1S/C17H19N3O4S/c1-18-10-17(24-16(18)23)7-4-8-19(11-17)14(21)9-20-15(22)12-5-2-3-6-13(12)25-20/h2-3,5-6H,4,7-11H2,1H3/t17-/m0/s1
InChIKeyYCIOBCSIELVAFX-KRWDZBQOSA-N
XLogP1.51
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-3-methyl-9-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 97280518
9-(2-indazol-1-ylacetyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 86285630
(5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95719735
3-methyl-9-[2-(2-oxoquinoxalin-1-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 72908091
9-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56882757
(5S)-3-methyl-9-[3-(2-oxo-3H-benzimidazol-1-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99970275
2-(2-oxo-2-piperazin-1-ylethyl)-1,2-benzothiazol-3-one
CID 67813078
(5S)-7-[3-(benzotriazol-1-yl)propanoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95723250
7-[3-(benzotriazol-1-yl)propanoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56908682
(5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99981305
(5S)-N-(9H-fluoren-9-yl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126447552
(5R)-3-methyl-7-(3-phenoxypropanoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95722803

Frequently Asked Questions

What is the IUPAC name of (5R)-3-methyl-9-[2-(3-oxo-1,2-benzothiazol-2-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R)-3-methyl-9-[2-(3-oxo-1,2-benzothiazol-2-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 97273752) is (5R)-3-methyl-9-[2-(3-oxo-1,2-benzothiazol-2-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R)-3-methyl-9-[2-(3-oxo-1,2-benzothiazol-2-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R)-3-methyl-9-[2-(3-oxo-1,2-benzothiazol-2-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CN1C[C@]2(CCCN(C(=O)Cn3sc4ccccc4c3=O)C2)OC1=O.
What is the InChIKey of (5R)-3-methyl-9-[2-(3-oxo-1,2-benzothiazol-2-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is YCIOBCSIELVAFX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-18-10-17(24-16(18)23)7-4-8-19(11-17)14(21)9-20-15(22)12-5-2-3-6-13(12)25-20/h2-3,5-6H,4,7-11H2,1H3/t17-/m0/s1.
What are the key properties of (5R)-3-methyl-9-[2-(3-oxo-1,2-benzothiazol-2-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5R)-3-methyl-9-[2-(3-oxo-1,2-benzothiazol-2-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 361.42 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methyl-9-[2-(3-oxo-1,2-benzothiazol-2-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97273752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).