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

C12H17N3OS — CID 115685656

IUPACN-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfinylethanamine
SMILESCc1nc2ccccn2c1CNCCS(C)=O
InChIInChI=1S/C12H17N3OS/c1-10-11(9-13-6-8-17(2)16)15-7-4-3-5-12(15)14-10/h3-5,7,13H,6,8-9H2,1-2H3
InChIKeyCOSPXBKNYBAJDC-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.11
Rot. Bonds5

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

N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfinylethanamine (PubChem CID 115685656) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfinylethanamine.

Molecular Properties

Compound NameN-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfinylethanamine
PubChem CID115685656
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfinylethanamine
SMILESCc1nc2ccccn2c1CNCCS(C)=O
InChIInChI=1S/C12H17N3OS/c1-10-11(9-13-6-8-17(2)16)15-7-4-3-5-12(15)14-10/h3-5,7,13H,6,8-9H2,1-2H3
InChIKeyCOSPXBKNYBAJDC-UHFFFAOYSA-N
XLogP1.11
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.11
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-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfanylethanamine
CID 63982688
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]-3-methylsulfonylpropan-1-amine
CID 54904820
4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanamide
CID 60863042
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 103745424
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115674375
ethyl 4-[(2-methylimidazo[1,2-a]pyridin-3-yl)methylamino]butanoate
CID 64580281
2-N,2-N,4-trimethyl-1-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]pentane-1,2-diamine
CID 43771642
3-(2-methoxyethoxy)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]propan-1-amine
CID 43770876
2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfonylpropan-1-amine
CID 79552337
2-ethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 43764503
(2-methylimidazo[1,2-a]pyridin-3-yl)methylurea
CID 139728346

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfinylethanamine?
The IUPAC name of N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfinylethanamine (CID 115685656) is N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfinylethanamine.
What is the SMILES notation for N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfinylethanamine?
The canonical SMILES for N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfinylethanamine is Cc1nc2ccccn2c1CNCCS(C)=O.
What is the InChIKey of N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfinylethanamine?
The InChIKey is COSPXBKNYBAJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-10-11(9-13-6-8-17(2)16)15-7-4-3-5-12(15)14-10/h3-5,7,13H,6,8-9H2,1-2H3.
What are the key properties of N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfinylethanamine?
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfinylethanamine has a molecular weight of 251.35 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-methylsulfinylethanamine is sourced from PubChem (CID 115685656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).