(1S,5S)-2-[(2-ethoxy-3-pyridinyl)sulfonyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid

C14H18N2O5S — CID 166287953

IUPAC(1S,5S)-2-[(2-ethoxy-3-pyridinyl)sulfonyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid
SMILESCCOc1ncccc1S(=O)(=O)N1CC[C@@H]2CC[C@@]21C(=O)O
InChIInChI=1S/C14H18N2O5S/c1-2-21-12-11(4-3-8-15-12)22(19,20)16-9-6-10-5-7-14(10,16)13(17)18/h3-4,8,10H,2,5-7,9H2,1H3,(H,17,18)/t10-,14-/m0/s1
InChIKeyGEVYGWSCILOLBK-HZMBPMFUSA-N
MW326.37 g/mol
LogP1.11
Rot. Bonds5

About (1S,5S)-2-[(2-ethoxy-3-pyridinyl)sulfonyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid

(1S,5S)-2-[(2-ethoxy-3-pyridinyl)sulfonyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid (PubChem CID 166287953) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is (1S,5S)-2-[(2-ethoxy-3-pyridinyl)sulfonyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,5S)-2-[(2-ethoxy-3-pyridinyl)sulfonyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid
PubChem CID166287953
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name(1S,5S)-2-[(2-ethoxy-3-pyridinyl)sulfonyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid
SMILESCCOc1ncccc1S(=O)(=O)N1CC[C@@H]2CC[C@@]21C(=O)O
InChIInChI=1S/C14H18N2O5S/c1-2-21-12-11(4-3-8-15-12)22(19,20)16-9-6-10-5-7-14(10,16)13(17)18/h3-4,8,10H,2,5-7,9H2,1H3,(H,17,18)/t10-,14-/m0/s1
InChIKeyGEVYGWSCILOLBK-HZMBPMFUSA-N
XLogP1.11
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S,5S)-2-[(2-ethoxy-3-pyridinyl)sulfonyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid with MolForge

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Related Compounds

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CID 166330625
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N-[(2-ethoxy-3-pyridinyl)sulfonyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
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2-(2,2-difluoroethoxy)-3-(2,2-dimethylpyrrolidin-1-yl)sulfonylpyridine
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[4-(benzenesulfonyl)piperazin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 2114420
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2-[(3-methylsulfonyl-2-pyridinyl)oxy]acetic acid
CID 114599478
N-(2-ethoxy-3-pyridinyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 34877593
1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine;hydroiodide
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2-chloro-N-[(2-ethoxy-3-pyridinyl)sulfonyl]thiophene-3-carboxamide
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2-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-sulfonamide
CID 112573106
N-[5-cyano-1-(2-ethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]-4-piperidin-4-ylpiperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-2-[(2-ethoxy-3-pyridinyl)sulfonyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid?
The IUPAC name of (1S,5S)-2-[(2-ethoxy-3-pyridinyl)sulfonyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid (CID 166287953) is (1S,5S)-2-[(2-ethoxy-3-pyridinyl)sulfonyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid.
What is the SMILES notation for (1S,5S)-2-[(2-ethoxy-3-pyridinyl)sulfonyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid?
The canonical SMILES for (1S,5S)-2-[(2-ethoxy-3-pyridinyl)sulfonyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid is CCOc1ncccc1S(=O)(=O)N1CC[C@@H]2CC[C@@]21C(=O)O.
What is the InChIKey of (1S,5S)-2-[(2-ethoxy-3-pyridinyl)sulfonyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid?
The InChIKey is GEVYGWSCILOLBK-HZMBPMFUSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-2-21-12-11(4-3-8-15-12)22(19,20)16-9-6-10-5-7-14(10,16)13(17)18/h3-4,8,10H,2,5-7,9H2,1H3,(H,17,18)/t10-,14-/m0/s1.
What are the key properties of (1S,5S)-2-[(2-ethoxy-3-pyridinyl)sulfonyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid?
(1S,5S)-2-[(2-ethoxy-3-pyridinyl)sulfonyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid has a molecular weight of 326.37 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-2-[(2-ethoxy-3-pyridinyl)sulfonyl]-2-azabicyclo[3.2.0]heptane-1-carboxylic acid is sourced from PubChem (CID 166287953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).