3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine

C16H22N2S2 — CID 43433717

IUPAC3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
SMILESc1csc(-c2csc(CNCCCN3CCCC3)c2)c1
InChIInChI=1S/C16H22N2S2/c1-2-8-18(7-1)9-4-6-17-12-15-11-14(13-20-15)16-5-3-10-19-16/h3,5,10-11,13,17H,1-2,4,6-9,12H2
InChIKeyWATTUXZKCDFESO-UHFFFAOYSA-N
MW306.50 g/mol
LogP4.05
Rot. Bonds7

About 3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine

3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 43433717) has the molecular formula C16H22N2S2 and a molecular weight of 306.50 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
PubChem CID43433717
Molecular FormulaC16H22N2S2
Molecular Weight306.50 g/mol
Exact Mass306.12
IUPAC Name3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
SMILESc1csc(-c2csc(CNCCCN3CCCC3)c2)c1
InChIInChI=1S/C16H22N2S2/c1-2-8-18(7-1)9-4-6-17-12-15-11-14(13-20-15)16-5-3-10-19-16/h3,5,10-11,13,17H,1-2,4,6-9,12H2
InChIKeyWATTUXZKCDFESO-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]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

3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 43433620
3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28657357
6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol
CID 103924165
5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
CID 107302865
2-cyclohexyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 63450748
N-[(4-chlorothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 79420468
1-(1,4-dimethylpiperazin-2-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
CID 63898183
2-(1-methylpyrazol-3-yl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 104626919
N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide
CID 71690078
1-(3-methylphenyl)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]methanamine
CID 43433741
N-[(3-bromothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 115379805
1-(4-piperidin-1-ylbutyl)-3-(4-thiophen-2-ylphenyl)urea
CID 59152408

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine (CID 43433717) is 3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine is c1csc(-c2csc(CNCCCN3CCCC3)c2)c1.
What is the InChIKey of 3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is WATTUXZKCDFESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S2/c1-2-8-18(7-1)9-4-6-17-12-15-11-14(13-20-15)16-5-3-10-19-16/h3,5,10-11,13,17H,1-2,4,6-9,12H2.
What are the key properties of 3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 306.50 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43433717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).