N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(2-methylsulfonylethyl)propan-2-amine

C14H21N3O2S — CID 75433712

IUPACN-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(2-methylsulfonylethyl)propan-2-amine
SMILESCC(C)N(CCS(C)(=O)=O)Cc1cnc2ccccn12
InChIInChI=1S/C14H21N3O2S/c1-12(2)16(8-9-20(3,18)19)11-13-10-15-14-6-4-5-7-17(13)14/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeyIOQSKUFOVDBDFN-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.59
Rot. Bonds6

About N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(2-methylsulfonylethyl)propan-2-amine

N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(2-methylsulfonylethyl)propan-2-amine (PubChem CID 75433712) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(2-methylsulfonylethyl)propan-2-amine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(2-methylsulfonylethyl)propan-2-amine
PubChem CID75433712
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(2-methylsulfonylethyl)propan-2-amine
SMILESCC(C)N(CCS(C)(=O)=O)Cc1cnc2ccccn12
InChIInChI=1S/C14H21N3O2S/c1-12(2)16(8-9-20(3,18)19)11-13-10-15-14-6-4-5-7-17(13)14/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeyIOQSKUFOVDBDFN-UHFFFAOYSA-N
XLogP1.59
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(2-methylsulfonylethyl)propan-2-amine?
The IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(2-methylsulfonylethyl)propan-2-amine (CID 75433712) is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(2-methylsulfonylethyl)propan-2-amine.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(2-methylsulfonylethyl)propan-2-amine?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(2-methylsulfonylethyl)propan-2-amine is CC(C)N(CCS(C)(=O)=O)Cc1cnc2ccccn12.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(2-methylsulfonylethyl)propan-2-amine?
The InChIKey is IOQSKUFOVDBDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-12(2)16(8-9-20(3,18)19)11-13-10-15-14-6-4-5-7-17(13)14/h4-7,10,12H,8-9,11H2,1-3H3.
What are the key properties of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(2-methylsulfonylethyl)propan-2-amine?
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(2-methylsulfonylethyl)propan-2-amine has a molecular weight of 295.41 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-(2-methylsulfonylethyl)propan-2-amine is sourced from PubChem (CID 75433712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).