N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine

C14H24N2S — CID 54793865

IUPACN-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(Cc2ccc(C)s2)C1
InChIInChI=1S/C14H24N2S/c1-3-15-9-13-5-4-8-16(10-13)11-14-7-6-12(2)17-14/h6-7,13,15H,3-5,8-11H2,1-2H3
InChIKeySVGBCYAAFFCMTO-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.88
Rot. Bonds5

About N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine

N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine (PubChem CID 54793865) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
PubChem CID54793865
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCCN(Cc2ccc(C)s2)C1
InChIInChI=1S/C14H24N2S/c1-3-15-9-13-5-4-8-16(10-13)11-14-7-6-12(2)17-14/h6-7,13,15H,3-5,8-11H2,1-2H3
InChIKeySVGBCYAAFFCMTO-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine 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-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 62581145
N-[[1-[(2-methylphenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54793885
1-[(5-methylthiophen-2-yl)methyl]piperidine-3-carboxylic acid
CID 4044656
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 54794504
2-[(5-methylthiophen-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79938951
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 79267719
N-methyl-1-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-3-yl]methanamine
CID 120835729
(3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 103882959
N-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 54794583
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 55256456
4-ethyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 70894300
N-[[1-[(5-bromothiophen-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 55220494

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine (CID 54793865) is N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine is CCNCC1CCCN(Cc2ccc(C)s2)C1.
What is the InChIKey of N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine?
The InChIKey is SVGBCYAAFFCMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-15-9-13-5-4-8-16(10-13)11-14-7-6-12(2)17-14/h6-7,13,15H,3-5,8-11H2,1-2H3.
What are the key properties of N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine?
N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine has a molecular weight of 252.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 54793865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).