N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine

C13H17NS2 — CID 43495885

IUPACN-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1sccc1C
InChIInChI=1S/C13H17NS2/c1-3-7-14-12(11-5-4-8-15-11)13-10(2)6-9-16-13/h4-6,8-9,12,14H,3,7H2,1-2H3
InChIKeyDXKUQSQMIXPEKL-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.21
Rot. Bonds5

About N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine

N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine (PubChem CID 43495885) has the molecular formula C13H17NS2 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
PubChem CID43495885
Molecular FormulaC13H17NS2
Molecular Weight251.42 g/mol
Exact Mass251.08
IUPAC NameN-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1sccc1C
InChIInChI=1S/C13H17NS2/c1-3-7-14-12(11-5-4-8-15-11)13-10(2)6-9-16-13/h4-6,8-9,12,14H,3,7H2,1-2H3
InChIKeyDXKUQSQMIXPEKL-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-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

N-[(2,6-difluorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 55006823
N-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 63503475
N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989890
N-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 102828798
N-[(3,5-dimethylphenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495957
N-[(4-bromo-3,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 114330849
N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 63503327
N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine
CID 61347143
N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline
CID 105166487
N-[(4-bromo-2-methylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 55195885
N-[(3-methylthiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 79988912
N-[(7-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 105045492

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine (CID 43495885) is N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine is CCCNC(c1cccs1)c1sccc1C.
What is the InChIKey of N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine?
The InChIKey is DXKUQSQMIXPEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS2/c1-3-7-14-12(11-5-4-8-15-11)13-10(2)6-9-16-13/h4-6,8-9,12,14H,3,7H2,1-2H3.
What are the key properties of N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine?
N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 43495885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).