8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid

C12H14N2O5S2 — CID 67394620

IUPAC8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESO=C(O)C1=NOC2(CCN(S(=O)(=O)c3cccs3)CC2)C1
InChIInChI=1S/C12H14N2O5S2/c15-11(16)9-8-12(19-13-9)3-5-14(6-4-12)21(17,18)10-2-1-7-20-10/h1-2,7H,3-6,8H2,(H,15,16)
InChIKeyPSGWHRNZDXQSRB-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.13
Rot. Bonds3

About 8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid

8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid (PubChem CID 67394620) has the molecular formula C12H14N2O5S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid.

Molecular Properties

Compound Name8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
PubChem CID67394620
Molecular FormulaC12H14N2O5S2
Molecular Weight330.39 g/mol
Exact Mass330.03
IUPAC Name8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESO=C(O)C1=NOC2(CCN(S(=O)(=O)c3cccs3)CC2)C1
InChIInChI=1S/C12H14N2O5S2/c15-11(16)9-8-12(19-13-9)3-5-14(6-4-12)21(17,18)10-2-1-7-20-10/h1-2,7H,3-6,8H2,(H,15,16)
InChIKeyPSGWHRNZDXQSRB-UHFFFAOYSA-N
XLogP1.13
TPSA96.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-phenylpropyl)piperazin-1-yl]-(8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)methanone
CID 10229611
(5R)-N-methyl-N-propan-2-yl-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491293
[4-(2-methylphenyl)piperazin-1-yl]-(8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl)methanone;8-(4-methylphenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 157185477
[4-(dimethylamino)piperidin-1-yl]-[(5R)-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-en-3-yl]methanone
CID 97491439
4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxylic acid
CID 2564272
3-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135547
1-thiophen-2-ylsulfonylpiperazin-4-ium
CID 7016013
6-tert-butyl-1'-thiophen-2-ylsulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759450
1-thiophen-2-ylsulfonylpiperidine
CID 765823
4-thiophen-2-ylsulfonylthiomorpholine
CID 128941068
(3S)-N-pyridin-2-yl-8-thiophen-2-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97488060
7-thiophen-2-ylsulfonyl-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane
CID 131659830

Frequently Asked Questions

What is the IUPAC name of 8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid?
The IUPAC name of 8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid (CID 67394620) is 8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid.
What is the SMILES notation for 8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid?
The canonical SMILES for 8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid is O=C(O)C1=NOC2(CCN(S(=O)(=O)c3cccs3)CC2)C1.
What is the InChIKey of 8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid?
The InChIKey is PSGWHRNZDXQSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S2/c15-11(16)9-8-12(19-13-9)3-5-14(6-4-12)21(17,18)10-2-1-7-20-10/h1-2,7H,3-6,8H2,(H,15,16).
What are the key properties of 8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid?
8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid has a molecular weight of 330.39 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-thiophen-2-ylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid is sourced from PubChem (CID 67394620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).