3-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)piperidine

C14H25NOS — CID 79920471

IUPAC3-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)piperidine
SMILESC1CNCC(CC2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C14H25NOS/c1-2-13(10-15-5-1)8-12-3-6-16-14(9-12)4-7-17-11-14/h12-13,15H,1-11H2
InChIKeyZLXKRRCUAXQBCH-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.68
Rot. Bonds2

About 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)piperidine

3-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)piperidine (PubChem CID 79920471) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)piperidine.

Molecular Properties

Compound Name3-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)piperidine
PubChem CID79920471
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name3-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)piperidine
SMILESC1CNCC(CC2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C14H25NOS/c1-2-13(10-15-5-1)8-12-3-6-16-14(9-12)4-7-17-11-14/h12-13,15H,1-11H2
InChIKeyZLXKRRCUAXQBCH-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)propan-2-amine
CID 79915541
N-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine
CID 107173436
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol
CID 79922491
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-2-amine
CID 81021521
N-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-amine
CID 79922985
1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-3-yl)methanol
CID 80559224
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-ol
CID 103983033
N-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898827
2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylpropan-1-amine
CID 79922745
3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-2-one
CID 79894494
1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-3-ylethanone
CID 116564109
3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine
CID 79894474

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)piperidine?
The IUPAC name of 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)piperidine (CID 79920471) is 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)piperidine.
What is the SMILES notation for 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)piperidine?
The canonical SMILES for 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)piperidine is C1CNCC(CC2CCOC3(CCSC3)C2)C1.
What is the InChIKey of 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)piperidine?
The InChIKey is ZLXKRRCUAXQBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-2-13(10-15-5-1)8-12-3-6-16-14(9-12)4-7-17-11-14/h12-13,15H,1-11H2.
What are the key properties of 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)piperidine?
3-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)piperidine has a molecular weight of 255.43 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)piperidine is sourced from PubChem (CID 79920471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).