1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide

C15H26N2O2S — CID 79905951

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide
SMILESNC(=S)C1CCCCN1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H26N2O2S/c16-14(20)13-3-1-2-7-17(13)12-4-8-19-15(11-12)5-9-18-10-6-15/h12-13H,1-11H2,(H2,16,20)
InChIKeyLEXNKXVWDXSJIE-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.86
Rot. Bonds2

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide

1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide (PubChem CID 79905951) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide
PubChem CID79905951
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide
SMILESNC(=S)C1CCCCN1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H26N2O2S/c16-14(20)13-3-1-2-7-17(13)12-4-8-19-15(11-12)5-9-18-10-6-15/h12-13H,1-11H2,(H2,16,20)
InChIKeyLEXNKXVWDXSJIE-UHFFFAOYSA-N
XLogP1.86
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate
CID 115536896
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-2-carbothioamide
CID 79905876
1-(1,9-dioxaspiro[5.5]undecan-4-yl)azepane-2-carboxylic acid
CID 79901428
methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
CID 79919392
N'-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carboximidamide
CID 79906422
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-2-yl]methanol
CID 79920339
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920343
1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid
CID 79893963
1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79905880
[1-(6-oxaspiro[4.5]decan-9-yl)azepan-2-yl]methanol
CID 116637254
1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile
CID 79903946
1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol
CID 79920646

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide (CID 79905951) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide is NC(=S)C1CCCCN1C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide?
The InChIKey is LEXNKXVWDXSJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c16-14(20)13-3-1-2-7-17(13)12-4-8-19-15(11-12)5-9-18-10-6-15/h12-13H,1-11H2,(H2,16,20).
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide has a molecular weight of 298.45 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide is sourced from PubChem (CID 79905951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).