5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid

C14H19NO4S2 — CID 63158586

IUPAC5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)N2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C14H19NO4S2/c16-13(17)11-9-12(20-10-11)21(18,19)15-7-5-14(6-8-15)3-1-2-4-14/h9-10H,1-8H2,(H,16,17)
InChIKeyGJCAVUKZVPTJNX-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.79
Rot. Bonds3

About 5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid

5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid (PubChem CID 63158586) has the molecular formula C14H19NO4S2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid
PubChem CID63158586
Molecular FormulaC14H19NO4S2
Molecular Weight329.44 g/mol
Exact Mass329.08
IUPAC Name5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)N2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C14H19NO4S2/c16-13(17)11-9-12(20-10-11)21(18,19)15-7-5-14(6-8-15)3-1-2-4-14/h9-10H,1-8H2,(H,16,17)
InChIKeyGJCAVUKZVPTJNX-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid (CID 63158586) is 5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)N2CCC3(CCCC3)CC2)c1.
What is the InChIKey of 5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid?
The InChIKey is GJCAVUKZVPTJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S2/c16-13(17)11-9-12(20-10-11)21(18,19)15-7-5-14(6-8-15)3-1-2-4-14/h9-10H,1-8H2,(H,16,17).
What are the key properties of 5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid?
5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid has a molecular weight of 329.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-azaspiro[4.5]decan-8-ylsulfonyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 63158586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).