(2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone

C13H20O2S — CID 79921070

IUPAC(2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
SMILESCC1CC1C(=O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H20O2S/c1-9-6-11(9)12(14)10-2-4-15-13(7-10)3-5-16-8-13/h9-11H,2-8H2,1H3
InChIKeyAHNZNJZOSLPRCQ-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.51
Rot. Bonds2

About (2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone

(2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone (PubChem CID 79921070) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is (2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
PubChem CID79921070
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name(2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
SMILESCC1CC1C(=O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H20O2S/c1-9-6-11(9)12(14)10-2-4-15-13(7-10)3-5-16-8-13/h9-11H,2-8H2,1H3
InChIKeyAHNZNJZOSLPRCQ-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 107003974
2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone
CID 79920975
methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate
CID 106942420
(3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79920973
1,4-dithian-2-yl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79971334
(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116576726
(1,1-dioxothiolan-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 113289668
(4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116560737
6-oxa-2-thiaspiro[4.5]decan-9-yl-[4-(propylamino)oxolan-3-yl]methanone
CID 116587891
2,2,3,3-tetrafluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
CID 114032513
cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 80609661
cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79913237

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone (CID 79921070) is (2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone is CC1CC1C(=O)C1CCOC2(CCSC2)C1.
What is the InChIKey of (2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The InChIKey is AHNZNJZOSLPRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-9-6-11(9)12(14)10-2-4-15-13(7-10)3-5-16-8-13/h9-11H,2-8H2,1H3.
What are the key properties of (2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
(2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone has a molecular weight of 240.37 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 79921070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).