N-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine

C12H20N2S — CID 65246088

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine
SMILESCc1cc(CNC2CCCNC2)sc1C
InChIInChI=1S/C12H20N2S/c1-9-6-12(15-10(9)2)8-14-11-4-3-5-13-7-11/h6,11,13-14H,3-5,7-8H2,1-2H3
InChIKeyHJHKIEMPYUAPIR-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.21
Rot. Bonds3

About N-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine

N-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine (PubChem CID 65246088) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine
PubChem CID65246088
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine
SMILESCc1cc(CNC2CCCNC2)sc1C
InChIInChI=1S/C12H20N2S/c1-9-6-12(15-10(9)2)8-14-11-4-3-5-13-7-11/h6,11,13-14H,3-5,7-8H2,1-2H3
InChIKeyHJHKIEMPYUAPIR-UHFFFAOYSA-N
XLogP2.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine (CID 65246088) is N-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine is Cc1cc(CNC2CCCNC2)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine?
The InChIKey is HJHKIEMPYUAPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9-6-12(15-10(9)2)8-14-11-4-3-5-13-7-11/h6,11,13-14H,3-5,7-8H2,1-2H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine?
N-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine has a molecular weight of 224.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 65246088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).