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

C14H22O2S — CID 107003974

IUPAC(2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
SMILESCC1(C)CC1C(=O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H22O2S/c1-13(2)8-11(13)12(15)10-3-5-16-14(7-10)4-6-17-9-14/h10-11H,3-9H2,1-2H3
InChIKeyAGXWPVDAAOZDKE-UHFFFAOYSA-N
MW254.39 g/mol
LogP2.90
Rot. Bonds2

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

(2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone (PubChem CID 107003974) has the molecular formula C14H22O2S and a molecular weight of 254.39 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
PubChem CID107003974
Molecular FormulaC14H22O2S
Molecular Weight254.39 g/mol
Exact Mass254.13
IUPAC Name(2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
SMILESCC1(C)CC1C(=O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H22O2S/c1-13(2)8-11(13)12(15)10-3-5-16-14(7-10)4-6-17-9-14/h10-11H,3-9H2,1-2H3
InChIKeyAGXWPVDAAOZDKE-UHFFFAOYSA-N
XLogP2.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921070
(2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 107003969
methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate
CID 106942420
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
(3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79920973
cyclohexyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 79913237
cyclooctyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanone
CID 80609661
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-one
CID 115788152
3-amino-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
CID 116564639
(4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116560737

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone (CID 107003974) is (2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone is CC1(C)CC1C(=O)C1CCOC2(CCSC2)C1.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
The InChIKey is AGXWPVDAAOZDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2S/c1-13(2)8-11(13)12(15)10-3-5-16-14(7-10)4-6-17-9-14/h10-11H,3-9H2,1-2H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone?
(2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone has a molecular weight of 254.39 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 107003974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).