(5R)-6-(2,5-dimethylfuran-3-yl)sulfonyl-2,9-dioxa-6-azaspiro[4.5]decane

C13H19NO5S — CID 124628765

IUPAC(5R)-6-(2,5-dimethylfuran-3-yl)sulfonyl-2,9-dioxa-6-azaspiro[4.5]decane
SMILESCc1cc(S(=O)(=O)N2CCOC[C@]23CCOC3)c(C)o1
InChIInChI=1S/C13H19NO5S/c1-10-7-12(11(2)19-10)20(15,16)14-4-6-18-9-13(14)3-5-17-8-13/h7H,3-6,8-9H2,1-2H3/t13-/m1/s1
InChIKeyJLXQZTXZXAVOTC-CYBMUJFWSA-N
MW301.36 g/mol
LogP1.08
Rot. Bonds2

About (5R)-6-(2,5-dimethylfuran-3-yl)sulfonyl-2,9-dioxa-6-azaspiro[4.5]decane

(5R)-6-(2,5-dimethylfuran-3-yl)sulfonyl-2,9-dioxa-6-azaspiro[4.5]decane (PubChem CID 124628765) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is (5R)-6-(2,5-dimethylfuran-3-yl)sulfonyl-2,9-dioxa-6-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-6-(2,5-dimethylfuran-3-yl)sulfonyl-2,9-dioxa-6-azaspiro[4.5]decane
PubChem CID124628765
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name(5R)-6-(2,5-dimethylfuran-3-yl)sulfonyl-2,9-dioxa-6-azaspiro[4.5]decane
SMILESCc1cc(S(=O)(=O)N2CCOC[C@]23CCOC3)c(C)o1
InChIInChI=1S/C13H19NO5S/c1-10-7-12(11(2)19-10)20(15,16)14-4-6-18-9-13(14)3-5-17-8-13/h7H,3-6,8-9H2,1-2H3/t13-/m1/s1
InChIKeyJLXQZTXZXAVOTC-CYBMUJFWSA-N
XLogP1.08
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-6-(2,5-dimethylfuran-3-yl)sulfonyl-2,9-dioxa-6-azaspiro[4.5]decane with MolForge

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Related Compounds

6-(2,5-dimethylfuran-3-yl)sulfonyl-6-azaspiro[4.5]decane-8-carboxylic acid
CID 167938650
1-(2,5-dimethylfuran-3-yl)sulfonyl-2,3-dimethylpiperazine
CID 120725851
[1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 102553899
5-bromo-4-(3,3-dimethylmorpholin-4-yl)sulfonylfuran-2-carboxylic acid
CID 62828667
1-(2,5-dimethylfuran-3-yl)sulfonyl-3-methyl-3-(2,2,2-trifluoroethyl)azetidine
CID 154737975
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine
CID 86784647
4-[5-(chloromethyl)-2-methylfuran-3-yl]sulfonylmorpholine
CID 39733408
2,9-dioxa-6-azaspiro[4.5]decan-6-yl-(4-methylsulfonylthiophen-2-yl)methanone
CID 136540274
4-(3,3-dimethylmorpholin-4-yl)sulfonyl-3,5-dimethylaniline
CID 79588769
2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide
CID 146075410
2-[1-(2,5-dimethylfuran-3-yl)sulfonylpyrrolidin-2-yl]pyrimidine
CID 138017972
4-(3,3-dimethylmorpholin-4-yl)sulfonyl-3-methylbenzenecarbothioamide
CID 106997855

Frequently Asked Questions

What is the IUPAC name of (5R)-6-(2,5-dimethylfuran-3-yl)sulfonyl-2,9-dioxa-6-azaspiro[4.5]decane?
The IUPAC name of (5R)-6-(2,5-dimethylfuran-3-yl)sulfonyl-2,9-dioxa-6-azaspiro[4.5]decane (CID 124628765) is (5R)-6-(2,5-dimethylfuran-3-yl)sulfonyl-2,9-dioxa-6-azaspiro[4.5]decane.
What is the SMILES notation for (5R)-6-(2,5-dimethylfuran-3-yl)sulfonyl-2,9-dioxa-6-azaspiro[4.5]decane?
The canonical SMILES for (5R)-6-(2,5-dimethylfuran-3-yl)sulfonyl-2,9-dioxa-6-azaspiro[4.5]decane is Cc1cc(S(=O)(=O)N2CCOC[C@]23CCOC3)c(C)o1.
What is the InChIKey of (5R)-6-(2,5-dimethylfuran-3-yl)sulfonyl-2,9-dioxa-6-azaspiro[4.5]decane?
The InChIKey is JLXQZTXZXAVOTC-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-10-7-12(11(2)19-10)20(15,16)14-4-6-18-9-13(14)3-5-17-8-13/h7H,3-6,8-9H2,1-2H3/t13-/m1/s1.
What are the key properties of (5R)-6-(2,5-dimethylfuran-3-yl)sulfonyl-2,9-dioxa-6-azaspiro[4.5]decane?
(5R)-6-(2,5-dimethylfuran-3-yl)sulfonyl-2,9-dioxa-6-azaspiro[4.5]decane has a molecular weight of 301.36 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-(2,5-dimethylfuran-3-yl)sulfonyl-2,9-dioxa-6-azaspiro[4.5]decane is sourced from PubChem (CID 124628765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).