N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine

C15H25N3S — CID 82889883

IUPACN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(CCNCc2cc3c(s2)CCC3)CC1
InChIInChI=1S/C15H25N3S/c1-17-7-9-18(10-8-17)6-5-16-12-14-11-13-3-2-4-15(13)19-14/h11,16H,2-10,12H2,1H3
InChIKeyPUEWSJBSZCDQKS-UHFFFAOYSA-N
MW279.45 g/mol
LogP1.57
Rot. Bonds5

About N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine

N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine (PubChem CID 82889883) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine
PubChem CID82889883
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine
SMILESCN1CCN(CCNCc2cc3c(s2)CCC3)CC1
InChIInChI=1S/C15H25N3S/c1-17-7-9-18(10-8-17)6-5-16-12-14-11-13-3-2-4-15(13)19-14/h11,16H,2-10,12H2,1H3
InChIKeyPUEWSJBSZCDQKS-UHFFFAOYSA-N
XLogP1.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 82889893
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pentan-1-amine
CID 61208352
N'-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)ethane-1,2-diamine
CID 113405391
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methylmorpholin-2-yl)methanamine
CID 79171394
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide
CID 61208365
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(3-methylbutoxy)ethanamine
CID 54955987
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 54956112
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 83074898
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-phenoxypropan-1-amine
CID 62936269
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 113243110
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(4-methoxyphenyl)methanamine
CID 61208540
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
CID 61208162

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine (CID 82889883) is N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine is CN1CCN(CCNCc2cc3c(s2)CCC3)CC1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine?
The InChIKey is PUEWSJBSZCDQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-17-7-9-18(10-8-17)6-5-16-12-14-11-13-3-2-4-15(13)19-14/h11,16H,2-10,12H2,1H3.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine?
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine has a molecular weight of 279.45 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 82889883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).