4-(8-azaspiro[4.5]decane-8-carbonyl)thiomorpholine-3-carboxylic acid

C15H24N2O3S — CID 82902989

IUPAC4-(8-azaspiro[4.5]decane-8-carbonyl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C15H24N2O3S/c18-13(19)12-11-21-10-9-17(12)14(20)16-7-5-15(6-8-16)3-1-2-4-15/h12H,1-11H2,(H,18,19)
InChIKeyBDWIBWFDVUWHPC-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.26
Rot. Bonds1

About 4-(8-azaspiro[4.5]decane-8-carbonyl)thiomorpholine-3-carboxylic acid

4-(8-azaspiro[4.5]decane-8-carbonyl)thiomorpholine-3-carboxylic acid (PubChem CID 82902989) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(8-azaspiro[4.5]decane-8-carbonyl)thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(8-azaspiro[4.5]decane-8-carbonyl)thiomorpholine-3-carboxylic acid
PubChem CID82902989
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-(8-azaspiro[4.5]decane-8-carbonyl)thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1C(=O)N1CCC2(CCCC2)CC1
InChIInChI=1S/C15H24N2O3S/c18-13(19)12-11-21-10-9-17(12)14(20)16-7-5-15(6-8-16)3-1-2-4-15/h12H,1-11H2,(H,18,19)
InChIKeyBDWIBWFDVUWHPC-UHFFFAOYSA-N
XLogP2.26
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methyl-1,4-diazepane-1-carbonyl)thiomorpholine-3-carboxylic acid
CID 82904538
4-[4-(trifluoromethyl)piperidine-1-carbonyl]thiomorpholine-3-carboxylic acid
CID 82905310
4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid
CID 82905305
4-(4-propylpiperidine-1-carbonyl)thiomorpholine-3-carboxylic acid
CID 82906430
4-(1-aminocyclobutanecarbonyl)thiomorpholine-3-carboxylic acid
CID 82904599
(4R)-3-(4,4-dimethylazepane-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 65282799
(4R)-3-(azepane-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61188708
(2S)-1-(thiomorpholine-4-carbonyl)piperidine-2-carboxylic acid
CID 68756695
4-[(1-methylcyclopentyl)methylcarbamoyl]thiomorpholine-3-carboxylic acid
CID 82906238
4-(2-methylthiolane-2-carbonyl)thiomorpholine-3-carboxylic acid
CID 82901567
4-[2-(hydroxymethyl)piperidine-1-carbonyl]thiomorpholine-3-carboxylic acid
CID 82904633
8-azaspiro[4.5]decan-8-yl(pyrrolidin-1-yl)methanone
CID 115642029

Frequently Asked Questions

What is the IUPAC name of 4-(8-azaspiro[4.5]decane-8-carbonyl)thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(8-azaspiro[4.5]decane-8-carbonyl)thiomorpholine-3-carboxylic acid (CID 82902989) is 4-(8-azaspiro[4.5]decane-8-carbonyl)thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(8-azaspiro[4.5]decane-8-carbonyl)thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(8-azaspiro[4.5]decane-8-carbonyl)thiomorpholine-3-carboxylic acid is O=C(O)C1CSCCN1C(=O)N1CCC2(CCCC2)CC1.
What is the InChIKey of 4-(8-azaspiro[4.5]decane-8-carbonyl)thiomorpholine-3-carboxylic acid?
The InChIKey is BDWIBWFDVUWHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c18-13(19)12-11-21-10-9-17(12)14(20)16-7-5-15(6-8-16)3-1-2-4-15/h12H,1-11H2,(H,18,19).
What are the key properties of 4-(8-azaspiro[4.5]decane-8-carbonyl)thiomorpholine-3-carboxylic acid?
4-(8-azaspiro[4.5]decane-8-carbonyl)thiomorpholine-3-carboxylic acid has a molecular weight of 312.44 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azaspiro[4.5]decane-8-carbonyl)thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82902989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).