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

C11H17N3O3S — CID 154775634

IUPAC2-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
SMILESCC(C(=O)NC1CCc2nccn2C1)S(C)(=O)=O
InChIInChI=1S/C11H17N3O3S/c1-8(18(2,16)17)11(15)13-9-3-4-10-12-5-6-14(10)7-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyJMTYPQUOXYUJRU-UHFFFAOYSA-N
MW271.34 g/mol
LogP-0.25
Rot. Bonds3

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

2-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide (PubChem CID 154775634) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
PubChem CID154775634
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
SMILESCC(C(=O)NC1CCc2nccn2C1)S(C)(=O)=O
InChIInChI=1S/C11H17N3O3S/c1-8(18(2,16)17)11(15)13-9-3-4-10-12-5-6-14(10)7-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyJMTYPQUOXYUJRU-UHFFFAOYSA-N
XLogP-0.25
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide?
The IUPAC name of 2-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide (CID 154775634) is 2-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide.
What is the SMILES notation for 2-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide?
The canonical SMILES for 2-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide is CC(C(=O)NC1CCc2nccn2C1)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide?
The InChIKey is JMTYPQUOXYUJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8(18(2,16)17)11(15)13-9-3-4-10-12-5-6-14(10)7-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,15).
What are the key properties of 2-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide?
2-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide has a molecular weight of 271.34 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide is sourced from PubChem (CID 154775634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).