N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride

C14H21ClN2OS — CID 119534635

IUPACN-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1cc2c(s1)CCC2
InChIInChI=1S/C14H20N2OS.ClH/c17-14(16-7-5-10-4-6-15-9-10)13-8-11-2-1-3-12(11)18-13;/h8,10,15H,1-7,9H2,(H,16,17);1H
InChIKeyIZJADTFGXUPRHJ-UHFFFAOYSA-N
MW300.85 g/mol
LogP2.39
Rot. Bonds4

About N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride

N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride (PubChem CID 119534635) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride
PubChem CID119534635
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1cc2c(s1)CCC2
InChIInChI=1S/C14H20N2OS.ClH/c17-14(16-7-5-10-4-6-15-9-10)13-8-11-2-1-3-12(11)18-13;/h8,10,15H,1-7,9H2,(H,16,17);1H
InChIKeyIZJADTFGXUPRHJ-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride 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-piperidin-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide;hydrochloride
CID 119425525
6-fluoro-N-(2-pyrrolidin-3-ylethyl)-1-benzothiophene-2-carboxamide
CID 81105185
N-(3-piperazin-1-ylpropyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 43443281
N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 63622870
N-(2-hydroxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 43389911
2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119536966
N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 39903793
5-nitro-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 119537746
N-(morpholin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 115323761
N-(2-sulfamoylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 61129341
5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pentanoic acid
CID 62031929
N-[2-(3-hydroxypropylsulfanyl)ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 103767820

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride (CID 119534635) is N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride is Cl.O=C(NCCC1CCNC1)c1cc2c(s1)CCC2.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride?
The InChIKey is IZJADTFGXUPRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/c17-14(16-7-5-10-4-6-15-9-10)13-8-11-2-1-3-12(11)18-13;/h8,10,15H,1-7,9H2,(H,16,17);1H.
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride?
N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride has a molecular weight of 300.85 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119534635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).