5-ethylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C8H13N3O2S — CID 53145319

IUPAC5-ethylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C8H13N3O2S/c1-2-14(12,13)11-4-3-7-8(5-11)10-6-9-7/h6H,2-5H2,1H3,(H,9,10)
InChIKeyUJALYFVAAKWLQQ-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.12
Rot. Bonds2

About 5-ethylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-ethylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 53145319) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 5-ethylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-ethylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID53145319
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name5-ethylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C8H13N3O2S/c1-2-14(12,13)11-4-3-7-8(5-11)10-6-9-7/h6H,2-5H2,1H3,(H,9,10)
InChIKeyUJALYFVAAKWLQQ-UHFFFAOYSA-N
XLogP0.12
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-ethylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 53145319) is 5-ethylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-ethylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-ethylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCS(=O)(=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of 5-ethylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is UJALYFVAAKWLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-2-14(12,13)11-4-3-7-8(5-11)10-6-9-7/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 5-ethylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-ethylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 215.28 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 53145319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).