N-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine

C13H15ClN2S — CID 106124235

IUPACN-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine
SMILESClC1CCC(CNc2nccc3sccc23)C1
InChIInChI=1S/C13H15ClN2S/c14-10-2-1-9(7-10)8-16-13-11-4-6-17-12(11)3-5-15-13/h3-6,9-10H,1-2,7-8H2,(H,15,16)
InChIKeyJUKHSVZOUGCUMT-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.12
Rot. Bonds3

About N-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine

N-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine (PubChem CID 106124235) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine
PubChem CID106124235
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC NameN-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine
SMILESClC1CCC(CNc2nccc3sccc23)C1
InChIInChI=1S/C13H15ClN2S/c14-10-2-1-9(7-10)8-16-13-11-4-6-17-12(11)3-5-15-13/h3-6,9-10H,1-2,7-8H2,(H,15,16)
InChIKeyJUKHSVZOUGCUMT-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminocyclohexyl)methyl]thieno[3,2-c]pyridin-4-amine
CID 106128217
N-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine
CID 106123958
N-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine
CID 115637285
N-(2-cyclopentyloxyethyl)thieno[3,2-c]pyridin-4-amine
CID 55219716
N-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine
CID 106124303
N-(2-chloro-2-phenylethyl)thieno[3,2-c]pyridin-4-amine
CID 65027465
N-(cyclopropylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43112087
N-methyl-2-(thieno[3,2-c]pyridin-4-ylamino)acetamide
CID 43522799
N-(2-pyrrolidin-2-ylethyl)thieno[3,2-c]pyridin-4-amine
CID 114794635
N-[[1-(chloromethyl)cyclopentyl]methyl]thieno[3,2-c]pyridin-4-amine
CID 113294681
3-(thieno[3,2-c]pyridin-4-ylamino)cyclopentane-1-carboxylic acid
CID 66031975
N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 107413822

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine (CID 106124235) is N-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine is ClC1CCC(CNc2nccc3sccc23)C1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine?
The InChIKey is JUKHSVZOUGCUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c14-10-2-1-9(7-10)8-16-13-11-4-6-17-12(11)3-5-15-13/h3-6,9-10H,1-2,7-8H2,(H,15,16).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine?
N-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine has a molecular weight of 266.80 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 106124235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).