8-methoxy-3-(1-oxa-4-thia-8-azaspiro[4.5]decane-8-carbonyl)chromen-2-one

C18H19NO5S — CID 90510684

IUPAC8-methoxy-3-(1-oxa-4-thia-8-azaspiro[4.5]decane-8-carbonyl)chromen-2-one
SMILESCOc1cccc2cc(C(=O)N3CCC4(CC3)OCCS4)c(=O)oc12
InChIInChI=1S/C18H19NO5S/c1-22-14-4-2-3-12-11-13(17(21)24-15(12)14)16(20)19-7-5-18(6-8-19)23-9-10-25-18/h2-4,11H,5-10H2,1H3
InChIKeySZRGGQPSBOHRCK-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.50
Rot. Bonds2

About 8-methoxy-3-(1-oxa-4-thia-8-azaspiro[4.5]decane-8-carbonyl)chromen-2-one

8-methoxy-3-(1-oxa-4-thia-8-azaspiro[4.5]decane-8-carbonyl)chromen-2-one (PubChem CID 90510684) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is 8-methoxy-3-(1-oxa-4-thia-8-azaspiro[4.5]decane-8-carbonyl)chromen-2-one.

Molecular Properties

Compound Name8-methoxy-3-(1-oxa-4-thia-8-azaspiro[4.5]decane-8-carbonyl)chromen-2-one
PubChem CID90510684
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC Name8-methoxy-3-(1-oxa-4-thia-8-azaspiro[4.5]decane-8-carbonyl)chromen-2-one
SMILESCOc1cccc2cc(C(=O)N3CCC4(CC3)OCCS4)c(=O)oc12
InChIInChI=1S/C18H19NO5S/c1-22-14-4-2-3-12-11-13(17(21)24-15(12)14)16(20)19-7-5-18(6-8-19)23-9-10-25-18/h2-4,11H,5-10H2,1H3
InChIKeySZRGGQPSBOHRCK-UHFFFAOYSA-N
XLogP2.50
TPSA68.98 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 ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-(azetidine-1-carbonyl)-8-methoxychromen-2-one
CID 2443516
(2-methoxyphenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
CID 56764624
3-(azocane-1-carbonyl)-8-methoxychromen-2-one
CID 6471057
1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl-(2,3,4-trimethoxyphenyl)methanone
CID 90510678
8-methoxy-3-[4-(thiophene-2-carbonyl)piperazine-1-carbonyl]chromen-2-one
CID 32903287
3-[4-(1-adamantyl)piperazine-1-carbonyl]-8-methoxychromen-2-one
CID 3238543
8-methoxy-3-(7-phenyl-1,4-thiazepane-4-carbonyl)chromen-2-one
CID 72720367
3-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-8-methoxychromen-2-one
CID 2146242
3-(4-benzhydrylpiperazine-1-carbonyl)-8-methoxychromen-2-one
CID 1167270
3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]-8-methoxychromen-2-one
CID 1045007
8-methoxy-3-[4-(thian-4-yl)-1,4-diazepane-1-carbonyl]chromen-2-one
CID 146078620
1-(8-methoxy-2-oxochromene-3-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 26462498

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(1-oxa-4-thia-8-azaspiro[4.5]decane-8-carbonyl)chromen-2-one?
The IUPAC name of 8-methoxy-3-(1-oxa-4-thia-8-azaspiro[4.5]decane-8-carbonyl)chromen-2-one (CID 90510684) is 8-methoxy-3-(1-oxa-4-thia-8-azaspiro[4.5]decane-8-carbonyl)chromen-2-one.
What is the SMILES notation for 8-methoxy-3-(1-oxa-4-thia-8-azaspiro[4.5]decane-8-carbonyl)chromen-2-one?
The canonical SMILES for 8-methoxy-3-(1-oxa-4-thia-8-azaspiro[4.5]decane-8-carbonyl)chromen-2-one is COc1cccc2cc(C(=O)N3CCC4(CC3)OCCS4)c(=O)oc12.
What is the InChIKey of 8-methoxy-3-(1-oxa-4-thia-8-azaspiro[4.5]decane-8-carbonyl)chromen-2-one?
The InChIKey is SZRGGQPSBOHRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-22-14-4-2-3-12-11-13(17(21)24-15(12)14)16(20)19-7-5-18(6-8-19)23-9-10-25-18/h2-4,11H,5-10H2,1H3.
What are the key properties of 8-methoxy-3-(1-oxa-4-thia-8-azaspiro[4.5]decane-8-carbonyl)chromen-2-one?
8-methoxy-3-(1-oxa-4-thia-8-azaspiro[4.5]decane-8-carbonyl)chromen-2-one has a molecular weight of 361.42 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(1-oxa-4-thia-8-azaspiro[4.5]decane-8-carbonyl)chromen-2-one is sourced from PubChem (CID 90510684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).