1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine

C16H22N2S — CID 102841379

IUPAC1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine
SMILESCCCNC(CCc1ccccn1)c1ccsc1C
InChIInChI=1S/C16H22N2S/c1-3-10-18-16(15-9-12-19-13(15)2)8-7-14-6-4-5-11-17-14/h4-6,9,11-12,16,18H,3,7-8,10H2,1-2H3
InChIKeyYFBRGVHDOBIEOT-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.13
Rot. Bonds7

About 1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine

1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine (PubChem CID 102841379) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine
PubChem CID102841379
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine
SMILESCCCNC(CCc1ccccn1)c1ccsc1C
InChIInChI=1S/C16H22N2S/c1-3-10-18-16(15-9-12-19-13(15)2)8-7-14-6-4-5-11-17-14/h4-6,9,11-12,16,18H,3,7-8,10H2,1-2H3
InChIKeyYFBRGVHDOBIEOT-UHFFFAOYSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-2-ylpropan-1-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-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 102840351
1-(2,4-dimethylphenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105145212
1-phenyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105083650
3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 102840731
1-(1-ethylimidazol-2-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105149718
1-(3-fluorophenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105092665
1-cyclopropyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105157131
3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine
CID 102841960
N-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 105158151
7-methyl-N-propyl-1-pyridin-2-yloctan-3-amine
CID 105176977
6-methoxy-N-propyl-1-pyridin-2-ylhexan-3-amine
CID 105190112
N-methyl-1-(2-methylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105094755

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine (CID 102841379) is 1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine is CCCNC(CCc1ccccn1)c1ccsc1C.
What is the InChIKey of 1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine?
The InChIKey is YFBRGVHDOBIEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-3-10-18-16(15-9-12-19-13(15)2)8-7-14-6-4-5-11-17-14/h4-6,9,11-12,16,18H,3,7-8,10H2,1-2H3.
What are the key properties of 1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine?
1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 102841379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).