N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylsulfinylethanamine

C11H14ClN3OS — CID 115632465

IUPACN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylsulfinylethanamine
SMILESCS(=O)CCNCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C11H14ClN3OS/c1-17(16)5-4-13-6-10-8-15-7-9(12)2-3-11(15)14-10/h2-3,7-8,13H,4-6H2,1H3
InChIKeyJXWKIYSHRLHJRK-UHFFFAOYSA-N
MW271.77 g/mol
LogP1.46
Rot. Bonds5

About N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylsulfinylethanamine

N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylsulfinylethanamine (PubChem CID 115632465) has the molecular formula C11H14ClN3OS and a molecular weight of 271.77 g/mol. Its IUPAC name is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylsulfinylethanamine.

Molecular Properties

Compound NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylsulfinylethanamine
PubChem CID115632465
Molecular FormulaC11H14ClN3OS
Molecular Weight271.77 g/mol
Exact Mass271.05
IUPAC NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylsulfinylethanamine
SMILESCS(=O)CCNCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C11H14ClN3OS/c1-17(16)5-4-13-6-10-8-15-7-9(12)2-3-11(15)14-10/h2-3,7-8,13H,4-6H2,1H3
InChIKeyJXWKIYSHRLHJRK-UHFFFAOYSA-N
XLogP1.46
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylsulfinylethanamine
CID 115632290
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-methylpropanamide
CID 78998419
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide
CID 115345098
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea
CID 83112157
5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]pentanamide
CID 106237592
N-tert-butyl-3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide
CID 115625685
5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]pentan-1-ol
CID 107303015
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 78913138
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]but-2-yn-1-amine
CID 115866233
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopropylpropan-1-amine
CID 115639536
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-propoxypropan-1-amine
CID 82943395
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 78913115

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylsulfinylethanamine?
The IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylsulfinylethanamine (CID 115632465) is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylsulfinylethanamine.
What is the SMILES notation for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylsulfinylethanamine?
The canonical SMILES for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylsulfinylethanamine is CS(=O)CCNCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylsulfinylethanamine?
The InChIKey is JXWKIYSHRLHJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3OS/c1-17(16)5-4-13-6-10-8-15-7-9(12)2-3-11(15)14-10/h2-3,7-8,13H,4-6H2,1H3.
What are the key properties of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylsulfinylethanamine?
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylsulfinylethanamine has a molecular weight of 271.77 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylsulfinylethanamine is sourced from PubChem (CID 115632465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).