N-(thiophen-2-ylmethyl)-3-[4-[3-(thiophen-2-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine

C20H32N4S2 — CID 6396237

IUPACN-(thiophen-2-ylmethyl)-3-[4-[3-(thiophen-2-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine
SMILESc1csc(CNCCCN2CCN(CCCNCc3cccs3)CC2)c1
InChIInChI=1S/C20H32N4S2/c1-5-19(25-15-1)17-21-7-3-9-23-11-13-24(14-12-23)10-4-8-22-18-20-6-2-16-26-20/h1-2,5-6,15-16,21-22H,3-4,7-14,17-18H2
InChIKeyGEVCNCWXQZSXFV-UHFFFAOYSA-N
MW392.64 g/mol
LogP3.09
Rot. Bonds12

About N-(thiophen-2-ylmethyl)-3-[4-[3-(thiophen-2-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine

N-(thiophen-2-ylmethyl)-3-[4-[3-(thiophen-2-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine (PubChem CID 6396237) has the molecular formula C20H32N4S2 and a molecular weight of 392.64 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-3-[4-[3-(thiophen-2-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-3-[4-[3-(thiophen-2-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine
PubChem CID6396237
Molecular FormulaC20H32N4S2
Molecular Weight392.64 g/mol
Exact Mass392.21
IUPAC NameN-(thiophen-2-ylmethyl)-3-[4-[3-(thiophen-2-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine
SMILESc1csc(CNCCCN2CCN(CCCNCc3cccs3)CC2)c1
InChIInChI=1S/C20H32N4S2/c1-5-19(25-15-1)17-21-7-3-9-23-11-13-24(14-12-23)10-4-8-22-18-20-6-2-16-26-20/h1-2,5-6,15-16,21-22H,3-4,7-14,17-18H2
InChIKeyGEVCNCWXQZSXFV-UHFFFAOYSA-N
XLogP3.09
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.64
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Thienylmethyl)piperazine, monohydrochloride
CID 2760623
Bis((thiophen-2-yl)methyl)amine
CID 252453
1-(Thien-2-ylmethyl)piperazine
CID 566208
Di-2-thenylamine hydrochloride
CID 24212013
1-Thiophen-2-ylmethyl-piperazine dihydrochloride
CID 45074832
2-Pyrrolidin-1-yl-2-thiophen-2-yl-ethylamine
CID 3733262
2-Thiophen-2-yl-piperazine
CID 2771726
N,N'-bis[3-(thiophen-2-ylmethylamino)propyl]heptane-1,7-diamine;tetrahydrochloride
CID 14791339
1-(2-(Thiophen-2-yl)ethyl)piperazine
CID 2737274
N,N-Dimethyl-N'-(thien-2-ylmethyl)ethane-1,2-diamine
CID 3154216
2-(4-Methylpiperazin-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 3261684
1-(Thiophen-2-ylmethyl)piperidin-4-amine
CID 17221638

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-3-[4-[3-(thiophen-2-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of N-(thiophen-2-ylmethyl)-3-[4-[3-(thiophen-2-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine (CID 6396237) is N-(thiophen-2-ylmethyl)-3-[4-[3-(thiophen-2-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-3-[4-[3-(thiophen-2-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-3-[4-[3-(thiophen-2-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine is c1csc(CNCCCN2CCN(CCCNCc3cccs3)CC2)c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-3-[4-[3-(thiophen-2-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine?
The InChIKey is GEVCNCWXQZSXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4S2/c1-5-19(25-15-1)17-21-7-3-9-23-11-13-24(14-12-23)10-4-8-22-18-20-6-2-16-26-20/h1-2,5-6,15-16,21-22H,3-4,7-14,17-18H2.
What are the key properties of N-(thiophen-2-ylmethyl)-3-[4-[3-(thiophen-2-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine?
N-(thiophen-2-ylmethyl)-3-[4-[3-(thiophen-2-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine has a molecular weight of 392.64 g/mol, XLogP of 3.09, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-3-[4-[3-(thiophen-2-ylmethylamino)propyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 6396237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).