5-(azepan-1-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C12H20N4O2S — CID 72856715

IUPAC5-(azepan-1-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESO=S(=O)(N1CCCCCC1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C12H20N4O2S/c17-19(18,15-6-3-1-2-4-7-15)16-8-5-11-12(9-16)14-10-13-11/h10H,1-9H2,(H,13,14)
InChIKeyHDZATMVWYJRSEH-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.89
Rot. Bonds2

About 5-(azepan-1-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-(azepan-1-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 72856715) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID72856715
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name5-(azepan-1-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESO=S(=O)(N1CCCCCC1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C12H20N4O2S/c17-19(18,15-6-3-1-2-4-7-15)16-8-5-11-12(9-16)14-10-13-11/h10H,1-9H2,(H,13,14)
InChIKeyHDZATMVWYJRSEH-UHFFFAOYSA-N
XLogP0.89
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 72856715) is 5-(azepan-1-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is O=S(=O)(N1CCCCCC1)N1CCc2nc[nH]c2C1.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is HDZATMVWYJRSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c17-19(18,15-6-3-1-2-4-7-15)16-8-5-11-12(9-16)14-10-13-11/h10H,1-9H2,(H,13,14).
What are the key properties of 5-(azepan-1-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-(azepan-1-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 284.38 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 72856715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).