5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-5-azaspiro[3.5]nonane-7-carboxylic acid

C16H19N3O5S — CID 166306291

IUPAC5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-5-azaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)C1CCC2(CCC2)N(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1
InChIInChI=1S/C16H19N3O5S/c20-14(21)10-4-7-16(5-1-6-16)19(9-10)25(23,24)11-2-3-12-13(8-11)18-15(22)17-12/h2-3,8,10H,1,4-7,9H2,(H,20,21)(H2,17,18,22)
InChIKeyJBGUREWEGAQKRT-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.26
Rot. Bonds3

About 5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-5-azaspiro[3.5]nonane-7-carboxylic acid

5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-5-azaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 166306291) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-5-azaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-5-azaspiro[3.5]nonane-7-carboxylic acid
PubChem CID166306291
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-5-azaspiro[3.5]nonane-7-carboxylic acid
SMILESO=C(O)C1CCC2(CCC2)N(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1
InChIInChI=1S/C16H19N3O5S/c20-14(21)10-4-7-16(5-1-6-16)19(9-10)25(23,24)11-2-3-12-13(8-11)18-15(22)17-12/h2-3,8,10H,1,4-7,9H2,(H,20,21)(H2,17,18,22)
InChIKeyJBGUREWEGAQKRT-UHFFFAOYSA-N
XLogP1.26
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-5-azaspiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-5-azaspiro[3.5]nonane-7-carboxylic acid (CID 166306291) is 5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-5-azaspiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-5-azaspiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-5-azaspiro[3.5]nonane-7-carboxylic acid is O=C(O)C1CCC2(CCC2)N(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1.
What is the InChIKey of 5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-5-azaspiro[3.5]nonane-7-carboxylic acid?
The InChIKey is JBGUREWEGAQKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c20-14(21)10-4-7-16(5-1-6-16)19(9-10)25(23,24)11-2-3-12-13(8-11)18-15(22)17-12/h2-3,8,10H,1,4-7,9H2,(H,20,21)(H2,17,18,22).
What are the key properties of 5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-5-azaspiro[3.5]nonane-7-carboxylic acid?
5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-5-azaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 365.41 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-5-azaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 166306291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).