N-[[1-(chloromethyl)cyclopentyl]methyl]thieno[3,2-c]pyridin-4-amine

C14H17ClN2S — CID 113294681

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]thieno[3,2-c]pyridin-4-amine
SMILESClCC1(CNc2nccc3sccc23)CCCC1
InChIInChI=1S/C14H17ClN2S/c15-9-14(5-1-2-6-14)10-17-13-11-4-8-18-12(11)3-7-16-13/h3-4,7-8H,1-2,5-6,9-10H2,(H,16,17)
InChIKeyJFYMFNQEXKAOKX-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.51
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopentyl]methyl]thieno[3,2-c]pyridin-4-amine

N-[[1-(chloromethyl)cyclopentyl]methyl]thieno[3,2-c]pyridin-4-amine (PubChem CID 113294681) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]thieno[3,2-c]pyridin-4-amine
PubChem CID113294681
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]thieno[3,2-c]pyridin-4-amine
SMILESClCC1(CNc2nccc3sccc23)CCCC1
InChIInChI=1S/C14H17ClN2S/c15-9-14(5-1-2-6-14)10-17-13-11-4-8-18-12(11)3-7-16-13/h3-4,7-8H,1-2,5-6,9-10H2,(H,16,17)
InChIKeyJFYMFNQEXKAOKX-UHFFFAOYSA-N
XLogP4.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-(chloromethyl)cyclopentyl]methyl]thieno[3,2-c]pyridin-4-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

[1-[(thieno[3,2-c]pyridin-4-ylamino)methyl]cyclohexyl]methanol
CID 112697561
N-[(1-methylcyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine
CID 55261967
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thieno[3,2-c]pyridin-4-amine
CID 103794661
N-[(1-methoxycyclobutyl)methyl]thieno[3,2-c]pyridin-4-amine
CID 103989642
N-[(2-methylthiolan-2-yl)methyl]thieno[3,2-c]pyridin-4-amine
CID 80527912
[1-(thieno[3,2-c]pyridin-4-ylamino)cyclopentyl]methanol
CID 62519052
N-(2-chloroprop-2-enyl)thieno[3,2-c]pyridin-4-amine
CID 115637285
N-tert-butylthieno[3,2-c]pyridin-4-amine
CID 126975731
N-(2-cyclopentyloxyethyl)thieno[3,2-c]pyridin-4-amine
CID 55219716
N-[(3-chlorocyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine
CID 106124235
N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-4-amine
CID 113294684
N-[[1-(chloromethyl)cyclopropyl]methyl]-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106543011

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]thieno[3,2-c]pyridin-4-amine (CID 113294681) is N-[[1-(chloromethyl)cyclopentyl]methyl]thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]thieno[3,2-c]pyridin-4-amine is ClCC1(CNc2nccc3sccc23)CCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]thieno[3,2-c]pyridin-4-amine?
The InChIKey is JFYMFNQEXKAOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c15-9-14(5-1-2-6-14)10-17-13-11-4-8-18-12(11)3-7-16-13/h3-4,7-8H,1-2,5-6,9-10H2,(H,16,17).
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]thieno[3,2-c]pyridin-4-amine?
N-[[1-(chloromethyl)cyclopentyl]methyl]thieno[3,2-c]pyridin-4-amine has a molecular weight of 280.82 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 113294681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).