2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-4-carboxylic acid

C15H25NO3S — CID 106744745

IUPAC2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H25NO3S/c1-11-8-12(14(17)18)2-5-16(11)13-3-6-19-15(9-13)4-7-20-10-15/h11-13H,2-10H2,1H3,(H,17,18)
InChIKeyQKJUPAZFGMIIMB-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.23
Rot. Bonds2

About 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-4-carboxylic acid

2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-4-carboxylic acid (PubChem CID 106744745) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-4-carboxylic acid
PubChem CID106744745
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H25NO3S/c1-11-8-12(14(17)18)2-5-16(11)13-3-6-19-15(9-13)4-7-20-10-15/h11-13H,2-10H2,1H3,(H,17,18)
InChIKeyQKJUPAZFGMIIMB-UHFFFAOYSA-N
XLogP2.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(oxan-4-yl)piperidine-4-carboxylic acid
CID 106745187
[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-2-yl]methanol
CID 79919988
[(2S)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919781
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-2-carbothioamide
CID 79905876
1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]propan-2-ol
CID 114338580
(2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921070
[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-2-yl]methanamine
CID 116640553
3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-3-carboxylic acid
CID 79894442
methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate
CID 106942420
[4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 114961459
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 115313242
5-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)triazole-4-carboxylic acid
CID 79919671

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-4-carboxylic acid (CID 106744745) is 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C1CCOC2(CCSC2)C1.
What is the InChIKey of 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-4-carboxylic acid?
The InChIKey is QKJUPAZFGMIIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-11-8-12(14(17)18)2-5-16(11)13-3-6-19-15(9-13)4-7-20-10-15/h11-13H,2-10H2,1H3,(H,17,18).
What are the key properties of 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-4-carboxylic acid?
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-4-carboxylic acid has a molecular weight of 299.44 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106744745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).