N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride

C15H21ClN2OS — CID 119536021

IUPACN-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)C1Cc2ccccc2S1
InChIInChI=1S/C15H20N2OS.ClH/c18-15(17-8-6-11-5-7-16-10-11)14-9-12-3-1-2-4-13(12)19-14;/h1-4,11,14,16H,5-10H2,(H,17,18);1H
InChIKeyHEGYYSZQKSWNHR-UHFFFAOYSA-N
MW312.87 g/mol
LogP2.24
Rot. Bonds4

About N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride

N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 119536021) has the molecular formula C15H21ClN2OS and a molecular weight of 312.87 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID119536021
Molecular FormulaC15H21ClN2OS
Molecular Weight312.87 g/mol
Exact Mass312.11
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)C1Cc2ccccc2S1
InChIInChI=1S/C15H20N2OS.ClH/c18-15(17-8-6-11-5-7-16-10-11)14-9-12-3-1-2-4-13(12)19-14;/h1-4,11,14,16H,5-10H2,(H,17,18);1H
InChIKeyHEGYYSZQKSWNHR-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.87
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119383954
N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217959
N-(morpholin-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 115323700
N-(4-aminobutyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214512
N-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396103
4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119535763
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119557953
N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 63622870
N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217051
N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51311123
N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride
CID 119537193

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride (CID 119536021) is N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride is Cl.O=C(NCCC1CCNC1)C1Cc2ccccc2S1.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is HEGYYSZQKSWNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS.ClH/c18-15(17-8-6-11-5-7-16-10-11)14-9-12-3-1-2-4-13(12)19-14;/h1-4,11,14,16H,5-10H2,(H,17,18);1H.
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride?
N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 312.87 g/mol, XLogP of 2.24, 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)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119536021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).