1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propylimidazole

C14H22N2OS — CID 79920205

IUPAC1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propylimidazole
SMILESCCCc1nccn1C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H22N2OS/c1-2-3-13-15-6-7-16(13)12-4-8-17-14(10-12)5-9-18-11-14/h6-7,12H,2-5,8-11H2,1H3
InChIKeyYFLYXXDNHMXWPK-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.06
Rot. Bonds3

About 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propylimidazole

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propylimidazole (PubChem CID 79920205) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propylimidazole.

Molecular Properties

Compound Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propylimidazole
PubChem CID79920205
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propylimidazole
SMILESCCCc1nccn1C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H22N2OS/c1-2-3-13-15-6-7-16(13)12-4-8-17-14(10-12)5-9-18-11-14/h6-7,12H,2-5,8-11H2,1H3
InChIKeyYFLYXXDNHMXWPK-UHFFFAOYSA-N
XLogP3.06
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole
CID 79919368
N-[2-(1-methylimidazol-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79894810
N-[[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methyl]ethanamine
CID 79919706
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)imidazole-4-sulfonamide
CID 81341137
1-(ethylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 79648637
N-methyl-1-[3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazol-4-yl]methanamine
CID 79922823
[1-(methylamino)-3-(2-propylimidazol-1-yl)cyclopentyl]methanol
CID 79644477
1-(propylamino)-3-(2-propylimidazol-1-yl)cyclopentane-1-carbonitrile
CID 79638335
2-methyl-N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 79910571
N-[(2-chlorofuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106692724
N-[(2-methyl-4-pyridinyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106755665
4-iodo-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazole
CID 79911649

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propylimidazole?
The IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propylimidazole (CID 79920205) is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propylimidazole.
What is the SMILES notation for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propylimidazole?
The canonical SMILES for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propylimidazole is CCCc1nccn1C1CCOC2(CCSC2)C1.
What is the InChIKey of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propylimidazole?
The InChIKey is YFLYXXDNHMXWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-2-3-13-15-6-7-16(13)12-4-8-17-14(10-12)5-9-18-11-14/h6-7,12H,2-5,8-11H2,1H3.
What are the key properties of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propylimidazole?
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propylimidazole has a molecular weight of 266.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-2-propylimidazole is sourced from PubChem (CID 79920205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).