2-(2-methylpropylsulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide

C13H21N3O3S — CID 86772138

IUPAC2-(2-methylpropylsulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
SMILESCC(C)CS(=O)(=O)CC(=O)NC1CCc2nccn2C1
InChIInChI=1S/C13H21N3O3S/c1-10(2)8-20(18,19)9-13(17)15-11-3-4-12-14-5-6-16(12)7-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,15,17)
InChIKeyNIWXWZRRXXYWGK-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.38
Rot. Bonds5

About 2-(2-methylpropylsulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide

2-(2-methylpropylsulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide (PubChem CID 86772138) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(2-methylpropylsulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylpropylsulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
PubChem CID86772138
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-(2-methylpropylsulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
SMILESCC(C)CS(=O)(=O)CC(=O)NC1CCc2nccn2C1
InChIInChI=1S/C13H21N3O3S/c1-10(2)8-20(18,19)9-13(17)15-11-3-4-12-14-5-6-16(12)7-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,15,17)
InChIKeyNIWXWZRRXXYWGK-UHFFFAOYSA-N
XLogP0.38
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide?
The IUPAC name of 2-(2-methylpropylsulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide (CID 86772138) is 2-(2-methylpropylsulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide.
What is the SMILES notation for 2-(2-methylpropylsulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide?
The canonical SMILES for 2-(2-methylpropylsulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide is CC(C)CS(=O)(=O)CC(=O)NC1CCc2nccn2C1.
What is the InChIKey of 2-(2-methylpropylsulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide?
The InChIKey is NIWXWZRRXXYWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10(2)8-20(18,19)9-13(17)15-11-3-4-12-14-5-6-16(12)7-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,15,17).
What are the key properties of 2-(2-methylpropylsulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide?
2-(2-methylpropylsulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide has a molecular weight of 299.40 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide is sourced from PubChem (CID 86772138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).