(5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C13H15ClN2O3S — CID 99981305

IUPAC(5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1C[C@@]2(CCCN(C(=O)c3ccc(Cl)s3)C2)OC1=O
InChIInChI=1S/C13H15ClN2O3S/c1-15-7-13(19-12(15)18)5-2-6-16(8-13)11(17)9-3-4-10(14)20-9/h3-4H,2,5-8H2,1H3/t13-/m1/s1
InChIKeyLPMGWVXSCRVWIG-CYBMUJFWSA-N
MW314.79 g/mol
LogP2.46
Rot. Bonds1

About (5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 99981305) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is (5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID99981305
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name(5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN1C[C@@]2(CCCN(C(=O)c3ccc(Cl)s3)C2)OC1=O
InChIInChI=1S/C13H15ClN2O3S/c1-15-7-13(19-12(15)18)5-2-6-16(8-13)11(17)9-3-4-10(14)20-9/h3-4H,2,5-8H2,1H3/t13-/m1/s1
InChIKeyLPMGWVXSCRVWIG-CYBMUJFWSA-N
XLogP2.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-9-(5-methyl-1H-imidazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56919336
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CID 99976442
N-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide
CID 131921886
(5S)-3-methyl-9-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 126445585
3-methyl-7-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56884639
(5R)-9-(imidazo[1,2-b]pyridazine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
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9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56907002
(3R)-1-(5-chlorothiophene-2-carbonyl)-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97126715
3-methyl-9-[4-(1H-pyrazol-5-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56889982
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(5R)-9-[1-(4-fluorophenyl)cyclopropanecarbonyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95720116
(5R)-9-(3,4-dihydro-2H-chromene-6-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
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Frequently Asked Questions

What is the IUPAC name of (5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 99981305) is (5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CN1C[C@@]2(CCCN(C(=O)c3ccc(Cl)s3)C2)OC1=O.
What is the InChIKey of (5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is LPMGWVXSCRVWIG-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c1-15-7-13(19-12(15)18)5-2-6-16(8-13)11(17)9-3-4-10(14)20-9/h3-4H,2,5-8H2,1H3/t13-/m1/s1.
What are the key properties of (5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 314.79 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 99981305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).