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

C12H16ClN3OS — CID 115632290

IUPACN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylsulfinylethanamine
SMILESCCS(=O)CCNCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C12H16ClN3OS/c1-2-18(17)6-5-14-7-11-9-16-8-10(13)3-4-12(16)15-11/h3-4,8-9,14H,2,5-7H2,1H3
InChIKeyMRPAVGSYJOXXRB-UHFFFAOYSA-N
MW285.80 g/mol
LogP1.85
Rot. Bonds6

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

N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylsulfinylethanamine (PubChem CID 115632290) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylsulfinylethanamine.

Molecular Properties

Compound NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylsulfinylethanamine
PubChem CID115632290
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylsulfinylethanamine
SMILESCCS(=O)CCNCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C12H16ClN3OS/c1-2-18(17)6-5-14-7-11-9-16-8-10(13)3-4-12(16)15-11/h3-4,8-9,14H,2,5-7H2,1H3
InChIKeyMRPAVGSYJOXXRB-UHFFFAOYSA-N
XLogP1.85
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 51.85
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-methylsulfinylethanamine
CID 115632465
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
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-propoxypropan-1-amine
CID 82943395
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]-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-ethylsulfinylethanamine?
The IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylsulfinylethanamine (CID 115632290) is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylsulfinylethanamine.
What is the SMILES notation for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylsulfinylethanamine?
The canonical SMILES for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylsulfinylethanamine is CCS(=O)CCNCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylsulfinylethanamine?
The InChIKey is MRPAVGSYJOXXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3OS/c1-2-18(17)6-5-14-7-11-9-16-8-10(13)3-4-12(16)15-11/h3-4,8-9,14H,2,5-7H2,1H3.
What are the key properties of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylsulfinylethanamine?
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylsulfinylethanamine has a molecular weight of 285.80 g/mol, XLogP of 1.85, 6 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-ethylsulfinylethanamine is sourced from PubChem (CID 115632290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).