3-[2-(dimethylsulfamoylamino)ethyl]imidazo[1,5-a]pyridine

C11H16N4O2S — CID 38996985

IUPAC3-[2-(dimethylsulfamoylamino)ethyl]imidazo[1,5-a]pyridine
SMILESCN(C)S(=O)(=O)NCCc1ncc2ccccn12
InChIInChI=1S/C11H16N4O2S/c1-14(2)18(16,17)13-7-6-11-12-9-10-5-3-4-8-15(10)11/h3-5,8-9,13H,6-7H2,1-2H3
InChIKeyBEBWDUPSPMNWOA-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.27
Rot. Bonds5

About 3-[2-(dimethylsulfamoylamino)ethyl]imidazo[1,5-a]pyridine

3-[2-(dimethylsulfamoylamino)ethyl]imidazo[1,5-a]pyridine (PubChem CID 38996985) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-[2-(dimethylsulfamoylamino)ethyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[2-(dimethylsulfamoylamino)ethyl]imidazo[1,5-a]pyridine
PubChem CID38996985
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name3-[2-(dimethylsulfamoylamino)ethyl]imidazo[1,5-a]pyridine
SMILESCN(C)S(=O)(=O)NCCc1ncc2ccccn12
InChIInChI=1S/C11H16N4O2S/c1-14(2)18(16,17)13-7-6-11-12-9-10-5-3-4-8-15(10)11/h3-5,8-9,13H,6-7H2,1-2H3
InChIKeyBEBWDUPSPMNWOA-UHFFFAOYSA-N
XLogP0.27
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylsulfamoylamino)ethyl]imidazo[1,5-a]pyridine?
The IUPAC name of 3-[2-(dimethylsulfamoylamino)ethyl]imidazo[1,5-a]pyridine (CID 38996985) is 3-[2-(dimethylsulfamoylamino)ethyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-[2-(dimethylsulfamoylamino)ethyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 3-[2-(dimethylsulfamoylamino)ethyl]imidazo[1,5-a]pyridine is CN(C)S(=O)(=O)NCCc1ncc2ccccn12.
What is the InChIKey of 3-[2-(dimethylsulfamoylamino)ethyl]imidazo[1,5-a]pyridine?
The InChIKey is BEBWDUPSPMNWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-14(2)18(16,17)13-7-6-11-12-9-10-5-3-4-8-15(10)11/h3-5,8-9,13H,6-7H2,1-2H3.
What are the key properties of 3-[2-(dimethylsulfamoylamino)ethyl]imidazo[1,5-a]pyridine?
3-[2-(dimethylsulfamoylamino)ethyl]imidazo[1,5-a]pyridine has a molecular weight of 268.34 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylsulfamoylamino)ethyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 38996985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).