N-methyl-N-(2-piperidin-4-ylsulfanylethyl)-2-pyridin-4-ylethanamine

C15H25N3S — CID 114628277

IUPACN-methyl-N-(2-piperidin-4-ylsulfanylethyl)-2-pyridin-4-ylethanamine
SMILESCN(CCSC1CCNCC1)CCc1ccncc1
InChIInChI=1S/C15H25N3S/c1-18(11-6-14-2-7-16-8-3-14)12-13-19-15-4-9-17-10-5-15/h2-3,7-8,15,17H,4-6,9-13H2,1H3
InChIKeyYVBPGVKZSDJACA-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.04
Rot. Bonds7

About N-methyl-N-(2-piperidin-4-ylsulfanylethyl)-2-pyridin-4-ylethanamine

N-methyl-N-(2-piperidin-4-ylsulfanylethyl)-2-pyridin-4-ylethanamine (PubChem CID 114628277) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is N-methyl-N-(2-piperidin-4-ylsulfanylethyl)-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-(2-piperidin-4-ylsulfanylethyl)-2-pyridin-4-ylethanamine
PubChem CID114628277
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC NameN-methyl-N-(2-piperidin-4-ylsulfanylethyl)-2-pyridin-4-ylethanamine
SMILESCN(CCSC1CCNCC1)CCc1ccncc1
InChIInChI=1S/C15H25N3S/c1-18(11-6-14-2-7-16-8-3-14)12-13-19-15-4-9-17-10-5-15/h2-3,7-8,15,17H,4-6,9-13H2,1H3
InChIKeyYVBPGVKZSDJACA-UHFFFAOYSA-N
XLogP2.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(2-piperidin-4-ylsulfanylethyl)-2-pyridin-4-ylethanamine 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-methyl-N-(2-piperazin-1-ylethyl)-2-pyridin-4-ylethanamine
CID 54943962
2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine
CID 116679477
N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-4-ylsulfanylethanamine
CID 114628355
N-methyl-N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylethanamine
CID 114628337
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
N,3-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)butan-1-amine
CID 114628366
N-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine;hydrochloride
CID 71641683
N-(dicyclopropylmethyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 62560654
N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-2-pyridin-4-ylethanamine
CID 55229589
3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 61286728
N-methyl-N-(2-phenylethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627017
2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]cyclohexan-1-ol
CID 62609026

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperidin-4-ylsulfanylethyl)-2-pyridin-4-ylethanamine?
The IUPAC name of N-methyl-N-(2-piperidin-4-ylsulfanylethyl)-2-pyridin-4-ylethanamine (CID 114628277) is N-methyl-N-(2-piperidin-4-ylsulfanylethyl)-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-methyl-N-(2-piperidin-4-ylsulfanylethyl)-2-pyridin-4-ylethanamine?
The canonical SMILES for N-methyl-N-(2-piperidin-4-ylsulfanylethyl)-2-pyridin-4-ylethanamine is CN(CCSC1CCNCC1)CCc1ccncc1.
What is the InChIKey of N-methyl-N-(2-piperidin-4-ylsulfanylethyl)-2-pyridin-4-ylethanamine?
The InChIKey is YVBPGVKZSDJACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-18(11-6-14-2-7-16-8-3-14)12-13-19-15-4-9-17-10-5-15/h2-3,7-8,15,17H,4-6,9-13H2,1H3.
What are the key properties of N-methyl-N-(2-piperidin-4-ylsulfanylethyl)-2-pyridin-4-ylethanamine?
N-methyl-N-(2-piperidin-4-ylsulfanylethyl)-2-pyridin-4-ylethanamine has a molecular weight of 279.45 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperidin-4-ylsulfanylethyl)-2-pyridin-4-ylethanamine is sourced from PubChem (CID 114628277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).