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

C14H24N2OS2 — CID 79905876

IUPAC1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-2-carbothioamide
SMILESNC(=S)C1CCCCN1C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H24N2OS2/c15-13(18)12-3-1-2-6-16(12)11-4-7-17-14(9-11)5-8-19-10-14/h11-12H,1-10H2,(H2,15,18)
InChIKeyWTPSHYXFRUGJQS-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.18
Rot. Bonds2

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

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-2-carbothioamide (PubChem CID 79905876) has the molecular formula C14H24N2OS2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-2-carbothioamide.

Molecular Properties

Compound Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-2-carbothioamide
PubChem CID79905876
Molecular FormulaC14H24N2OS2
Molecular Weight300.49 g/mol
Exact Mass300.13
IUPAC Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-2-carbothioamide
SMILESNC(=S)C1CCCCN1C1CCOC2(CCSC2)C1
InChIInChI=1S/C14H24N2OS2/c15-13(18)12-3-1-2-6-16(12)11-4-7-17-14(9-11)5-8-19-10-14/h11-12H,1-10H2,(H2,15,18)
InChIKeyWTPSHYXFRUGJQS-UHFFFAOYSA-N
XLogP2.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carbothioamide
CID 79905951
[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
[(2S)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919781
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
methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylate
CID 115536896
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-4-carboxylic acid
CID 106744745
1-(1,9-dioxaspiro[5.5]undecan-4-yl)azepane-2-carboxylic acid
CID 79901428
1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidine-2-carbonitrile
CID 79904096
methyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidine-2-carboxylate
CID 79919392
2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol
CID 79920547

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-2-carbothioamide?
The IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-2-carbothioamide (CID 79905876) is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-2-carbothioamide.
What is the SMILES notation for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-2-carbothioamide?
The canonical SMILES for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-2-carbothioamide is NC(=S)C1CCCCN1C1CCOC2(CCSC2)C1.
What is the InChIKey of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-2-carbothioamide?
The InChIKey is WTPSHYXFRUGJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS2/c15-13(18)12-3-1-2-6-16(12)11-4-7-17-14(9-11)5-8-19-10-14/h11-12H,1-10H2,(H2,15,18).
What are the key properties of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-2-carbothioamide?
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-2-carbothioamide has a molecular weight of 300.49 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 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)piperidine-2-carbothioamide is sourced from PubChem (CID 79905876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).