1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine-2-carbonitrile

C15H24N2OS — CID 79904096

IUPAC1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine-2-carbonitrile
SMILESN#CC1CCCCN1C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H24N2OS/c16-12-14-3-1-2-7-17(14)13-4-8-18-15(11-13)5-9-19-10-6-15/h13-14H,1-11H2
InChIKeyVIFCYKVWLDLJGX-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.81
Rot. Bonds1

About 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine-2-carbonitrile

1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine-2-carbonitrile (PubChem CID 79904096) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine-2-carbonitrile.

Molecular Properties

Compound Name1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine-2-carbonitrile
PubChem CID79904096
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine-2-carbonitrile
SMILESN#CC1CCCCN1C1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H24N2OS/c16-12-14-3-1-2-7-17(14)13-4-8-18-15(11-13)5-9-19-10-6-15/h13-14H,1-11H2
InChIKeyVIFCYKVWLDLJGX-UHFFFAOYSA-N
XLogP2.81
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile
CID 79904021
1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile
CID 79903946
[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-2-yl]methanol
CID 79919988
[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-2-yl]methanamine
CID 116640553
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-2-carbothioamide
CID 79905876
[(2S)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919781
[1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol
CID 116637254
2-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]ethanamine
CID 79902510
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 113281993
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanol
CID 79920339
1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-2-ol
CID 114338580
N'-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carboximidamide
CID 79906422

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine-2-carbonitrile?
The IUPAC name of 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine-2-carbonitrile (CID 79904096) is 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine-2-carbonitrile.
What is the SMILES notation for 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine-2-carbonitrile?
The canonical SMILES for 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine-2-carbonitrile is N#CC1CCCCN1C1CCOC2(CCSCC2)C1.
What is the InChIKey of 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine-2-carbonitrile?
The InChIKey is VIFCYKVWLDLJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c16-12-14-3-1-2-7-17(14)13-4-8-18-15(11-13)5-9-19-10-6-15/h13-14H,1-11H2.
What are the key properties of 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine-2-carbonitrile?
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine-2-carbonitrile has a molecular weight of 280.44 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine-2-carbonitrile is sourced from PubChem (CID 79904096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).