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

C10H17N3O2S — CID 53145325

IUPAC5-butylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCCS(=O)(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C10H17N3O2S/c1-2-3-6-16(14,15)13-5-4-9-10(7-13)12-8-11-9/h8H,2-7H2,1H3,(H,11,12)
InChIKeyQHAAOZQNKDELDH-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.90
Rot. Bonds4

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

5-butylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 53145325) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 5-butylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-butylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID53145325
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name5-butylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCCCS(=O)(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C10H17N3O2S/c1-2-3-6-16(14,15)13-5-4-9-10(7-13)12-8-11-9/h8H,2-7H2,1H3,(H,11,12)
InChIKeyQHAAOZQNKDELDH-UHFFFAOYSA-N
XLogP0.90
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-butylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 53145325) is 5-butylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-butylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-butylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCCCS(=O)(=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of 5-butylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is QHAAOZQNKDELDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-3-6-16(14,15)13-5-4-9-10(7-13)12-8-11-9/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 5-butylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-butylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 243.33 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 53145325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).