cyclopropyl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone

C11H17NO2S — CID 56764607

IUPACcyclopropyl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(C1CC1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C11H17NO2S/c13-10(9-1-2-9)12-5-3-11(4-6-12)14-7-8-15-11/h9H,1-8H2
InChIKeyVSVUJMOJQGMQFA-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.48
Rot. Bonds1

About cyclopropyl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone

cyclopropyl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 56764607) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is cyclopropyl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID56764607
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Namecyclopropyl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(C1CC1)N1CCC2(CC1)OCCS2
InChIInChI=1S/C11H17NO2S/c13-10(9-1-2-9)12-5-3-11(4-6-12)14-7-8-15-11/h9H,1-8H2
InChIKeyVSVUJMOJQGMQFA-UHFFFAOYSA-N
XLogP1.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
CID 90510592
4-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)cyclohexane-1-carboxylic acid
CID 107457872
cyclopropyl(1,4-thiazepan-4-yl)methanone
CID 60773784
(5-bromo-2-chlorophenyl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
CID 90510687
6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174410
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
2-[2-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]isoindole-1,3-dione
CID 90510674
2-naphthalen-1-yl-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
CID 90510652
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
(4-amino-4-methylpiperidin-1-yl)-cyclopropylmethanone;hydrochloride
CID 130809222
N-(thiophen-2-ylmethyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide
CID 56764711
(3-aminocyclopentyl)-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107454532

Frequently Asked Questions

What is the IUPAC name of cyclopropyl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of cyclopropyl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone (CID 56764607) is cyclopropyl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for cyclopropyl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for cyclopropyl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone is O=C(C1CC1)N1CCC2(CC1)OCCS2.
What is the InChIKey of cyclopropyl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is VSVUJMOJQGMQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c13-10(9-1-2-9)12-5-3-11(4-6-12)14-7-8-15-11/h9H,1-8H2.
What are the key properties of cyclopropyl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
cyclopropyl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 227.33 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 56764607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).