trans-(1R,2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-2-methylsulfanylcyclopentan-1-amine

C15H21N3S — CID 99106874

IUPACtrans-(1R,2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-2-methylsulfanylcyclopentan-1-amine
SMILESCS[C@@H]1CCC[C@H]1N(C)Cc1cn2ccccc2n1
InChIInChI=1S/C15H21N3S/c1-17(13-6-5-7-14(13)19-2)10-12-11-18-9-4-3-8-15(18)16-12/h3-4,8-9,11,13-14H,5-7,10H2,1-2H3/t13-,14-/m1/s1
InChIKeyIPYKMTAWIGWYEB-ZIAGYGMSSA-N
MW275.42 g/mol
LogP3.05
Rot. Bonds4

About trans-(1R,2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-2-methylsulfanylcyclopentan-1-amine

trans-(1R,2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-2-methylsulfanylcyclopentan-1-amine (PubChem CID 99106874) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is trans-(1R,2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-2-methylsulfanylcyclopentan-1-amine
PubChem CID99106874
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Nametrans-(1R,2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-2-methylsulfanylcyclopentan-1-amine
SMILESCS[C@@H]1CCC[C@H]1N(C)Cc1cn2ccccc2n1
InChIInChI=1S/C15H21N3S/c1-17(13-6-5-7-14(13)19-2)10-12-11-18-9-4-3-8-15(18)16-12/h3-4,8-9,11,13-14H,5-7,10H2,1-2H3/t13-,14-/m1/s1
InChIKeyIPYKMTAWIGWYEB-ZIAGYGMSSA-N
XLogP3.05
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-2-methylsulfanylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylazepan-4-amine
CID 104974401
N-methyl-2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 71988459
N-ethyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)ethanamine
CID 4701920
2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 7039929
trans-(1R,2R)-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-4-ylmethyl)cyclopentan-1-amine
CID 99106889
2-[methyl-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]cyclohexan-1-ol
CID 102636372
2-[(2,6-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine bromide
CID 53347072
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
2-chloro-N-ethyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)ethanamine
CID 63387084
[2-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 60922596
1-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylguanidine
CID 110029530
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N,3-dimethylaniline
CID 53171811

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of trans-(1R,2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-2-methylsulfanylcyclopentan-1-amine (CID 99106874) is trans-(1R,2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-2-methylsulfanylcyclopentan-1-amine is CS[C@@H]1CCC[C@H]1N(C)Cc1cn2ccccc2n1.
What is the InChIKey of trans-(1R,2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is IPYKMTAWIGWYEB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H21N3S/c1-17(13-6-5-7-14(13)19-2)10-12-11-18-9-4-3-8-15(18)16-12/h3-4,8-9,11,13-14H,5-7,10H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-2-methylsulfanylcyclopentan-1-amine?
trans-(1R,2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-2-methylsulfanylcyclopentan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methyl-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 99106874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).