1'-ethyl-5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

C13H22N4O2S — CID 86283435

IUPAC1'-ethyl-5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCCN1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O
InChIInChI=1S/C13H22N4O2S/c1-3-16-8-5-13(6-9-16)12-11(14-10-15-12)4-7-17(13)20(2,18)19/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyCHRPOBBYFSGOLW-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.54
Rot. Bonds2

About 1'-ethyl-5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

1'-ethyl-5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (PubChem CID 86283435) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1'-ethyl-5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].

Molecular Properties

Compound Name1'-ethyl-5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
PubChem CID86283435
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name1'-ethyl-5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCCN1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O
InChIInChI=1S/C13H22N4O2S/c1-3-16-8-5-13(6-9-16)12-11(14-10-15-12)4-7-17(13)20(2,18)19/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyCHRPOBBYFSGOLW-UHFFFAOYSA-N
XLogP0.54
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The IUPAC name of 1'-ethyl-5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (CID 86283435) is 1'-ethyl-5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].
What is the SMILES notation for 1'-ethyl-5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The canonical SMILES for 1'-ethyl-5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is CCN1CCC2(CC1)c1nc[nH]c1CCN2S(C)(=O)=O.
What is the InChIKey of 1'-ethyl-5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The InChIKey is CHRPOBBYFSGOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-16-8-5-13(6-9-16)12-11(14-10-15-12)4-7-17(13)20(2,18)19/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 1'-ethyl-5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
1'-ethyl-5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] has a molecular weight of 298.41 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-5-methylsulfonylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is sourced from PubChem (CID 86283435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).