N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-methylsulfonylpropan-1-amine

C13H19N3O2S — CID 54904820

IUPACN-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-methylsulfonylpropan-1-amine
SMILESCc1nc2ccccn2c1CNCCCS(C)(=O)=O
InChIInChI=1S/C13H19N3O2S/c1-11-12(10-14-7-5-9-19(2,17)18)16-8-4-3-6-13(16)15-11/h3-4,6,8,14H,5,7,9-10H2,1-2H3
InChIKeyVUFLRVRWDSKGLN-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.17
Rot. Bonds6

About N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-methylsulfonylpropan-1-amine

N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-methylsulfonylpropan-1-amine (PubChem CID 54904820) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-methylsulfonylpropan-1-amine
PubChem CID54904820
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-methylsulfonylpropan-1-amine
SMILESCc1nc2ccccn2c1CNCCCS(C)(=O)=O
InChIInChI=1S/C13H19N3O2S/c1-11-12(10-14-7-5-9-19(2,17)18)16-8-4-3-6-13(16)15-11/h3-4,6,8,14H,5,7,9-10H2,1-2H3
InChIKeyVUFLRVRWDSKGLN-UHFFFAOYSA-N
XLogP1.17
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115674375
4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanamide
CID 60863042
2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfonylpropan-1-amine
CID 79552337
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfinylethanamine
CID 115685656
2-[(3-methylsulfonylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670048
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine
CID 63982688
ethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate
CID 64580281
3-(2-methoxyethoxy)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine
CID 43770876
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43767977
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
CID 54896187
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 103745424
N-methyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)methanesulfonamide
CID 165446492

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-methylsulfonylpropan-1-amine?
The IUPAC name of N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-methylsulfonylpropan-1-amine (CID 54904820) is N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-methylsulfonylpropan-1-amine?
The canonical SMILES for N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-methylsulfonylpropan-1-amine is Cc1nc2ccccn2c1CNCCCS(C)(=O)=O.
What is the InChIKey of N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-methylsulfonylpropan-1-amine?
The InChIKey is VUFLRVRWDSKGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-11-12(10-14-7-5-9-19(2,17)18)16-8-4-3-6-13(16)15-11/h3-4,6,8,14H,5,7,9-10H2,1-2H3.
What are the key properties of N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-methylsulfonylpropan-1-amine?
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-methylsulfonylpropan-1-amine has a molecular weight of 281.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 54904820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).