6-(3,5-dimethylthiophen-2-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid

C14H19NO4S2 — CID 154742968

IUPAC6-(3,5-dimethylthiophen-2-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCc1cc(C)c(S(=O)(=O)N2CCC3(CC2)CC3C(=O)O)s1
InChIInChI=1S/C14H19NO4S2/c1-9-7-10(2)20-13(9)21(18,19)15-5-3-14(4-6-15)8-11(14)12(16)17/h7,11H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyWQZSVNSQKKVQBR-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.24
Rot. Bonds3

About 6-(3,5-dimethylthiophen-2-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid

6-(3,5-dimethylthiophen-2-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 154742968) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 6-(3,5-dimethylthiophen-2-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(3,5-dimethylthiophen-2-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID154742968
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC Name6-(3,5-dimethylthiophen-2-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCc1cc(C)c(S(=O)(=O)N2CCC3(CC2)CC3C(=O)O)s1
InChIInChI=1S/C14H19NO4S2/c1-9-7-10(2)20-13(9)21(18,19)15-5-3-14(4-6-15)8-11(14)12(16)17/h7,11H,3-6,8H2,1-2H3,(H,16,17)
InChIKeyWQZSVNSQKKVQBR-UHFFFAOYSA-N
XLogP2.24
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chloro-5-fluorophenyl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 166237221
6-(2-cyclobutylpyrazol-3-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 146109220
6-(2,4-dimethylbenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174873
ethane;6-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 144539411
6-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119128069
6-[2-(2,5-dimethylphenyl)sulfanylacetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174371
6-(5-methyl-4-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175440
(2R)-6-(4-fluoro-2-methylbenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129469820
6-(2,5-dimethylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175577
6-(5-methyl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136491
2-(3,5-dimethylthiophen-2-yl)sulfonyl-7-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 154801834
6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 59395230

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylthiophen-2-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(3,5-dimethylthiophen-2-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid (CID 154742968) is 6-(3,5-dimethylthiophen-2-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(3,5-dimethylthiophen-2-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(3,5-dimethylthiophen-2-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid is Cc1cc(C)c(S(=O)(=O)N2CCC3(CC2)CC3C(=O)O)s1.
What is the InChIKey of 6-(3,5-dimethylthiophen-2-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is WQZSVNSQKKVQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S2/c1-9-7-10(2)20-13(9)21(18,19)15-5-3-14(4-6-15)8-11(14)12(16)17/h7,11H,3-6,8H2,1-2H3,(H,16,17).
What are the key properties of 6-(3,5-dimethylthiophen-2-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(3,5-dimethylthiophen-2-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 329.44 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylthiophen-2-yl)sulfonyl-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 154742968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).