N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxamide;hydrochloride

C13H17ClN2OS — CID 119323965

IUPACN-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CSc2ccccc21)C1CCCN1
InChIInChI=1S/C13H16N2OS.ClH/c16-13(10-5-3-7-14-10)15-11-8-17-12-6-2-1-4-9(11)12;/h1-2,4,6,10-11,14H,3,5,7-8H2,(H,15,16);1H
InChIKeyMCAIIIBCSQXURC-UHFFFAOYSA-N
MW284.81 g/mol
LogP2.12
Rot. Bonds2

About N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxamide;hydrochloride

N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119323965) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119323965
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC NameN-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CSc2ccccc21)C1CCCN1
InChIInChI=1S/C13H16N2OS.ClH/c16-13(10-5-3-7-14-10)15-11-8-17-12-6-2-1-4-9(11)12;/h1-2,4,6,10-11,14H,3,5,7-8H2,(H,15,16);1H
InChIKeyMCAIIIBCSQXURC-UHFFFAOYSA-N
XLogP2.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 42885854
N-(3,4-dihydro-2H-thiochromen-4-yl)thiomorpholine-3-carboxamide
CID 82906018
(2R)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 59415524
(2S)-N-(3,4-dihydro-2H-chromen-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119685148
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119291322
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 119302147
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylpiperidine-2-carboxamide
CID 107067269
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)piperidine-2-carboxamide;hydrochloride
CID 119317722
(2S)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119695810
(2R)-N-(2,3-dihydro-1H-inden-2-yl)pyrrolidine-2-carboxamide
CID 114007941
(3R)-N-(3,4-dihydro-2H-thiochromen-4-yl)piperidine-3-carboxamide
CID 81123604
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-2-carboxamide
CID 119331744

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxamide;hydrochloride (CID 119323965) is N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NC1CSc2ccccc21)C1CCCN1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is MCAIIIBCSQXURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS.ClH/c16-13(10-5-3-7-14-10)15-11-8-17-12-6-2-1-4-9(11)12;/h1-2,4,6,10-11,14H,3,5,7-8H2,(H,15,16);1H.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxamide;hydrochloride?
N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 284.81 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-3-yl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119323965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).