N-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

C15H19ClN2OS — CID 119296484

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1csc2ccccc12)C1CCCN1
InChIInChI=1S/C15H18N2OS.ClH/c18-15(13-5-3-8-16-13)17-9-7-11-10-19-14-6-2-1-4-12(11)14;/h1-2,4,6,10,13,16H,3,5,7-9H2,(H,17,18);1H
InChIKeyRZFLOTCSBPYZFN-UHFFFAOYSA-N
MW310.85 g/mol
LogP2.73
Rot. Bonds4

About N-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride

N-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119296484) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119296484
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1csc2ccccc12)C1CCCN1
InChIInChI=1S/C15H18N2OS.ClH/c18-15(13-5-3-8-16-13)17-9-7-11-10-19-14-6-2-1-4-12(11)14;/h1-2,4,6,10,13,16H,3,5,7-9H2,(H,17,18);1H
InChIKeyRZFLOTCSBPYZFN-UHFFFAOYSA-N
XLogP2.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119296481
N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide
CID 87005605
N-(2-naphthalen-1-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119288851
1-(azepan-2-yl)-2-(1-benzothiophen-3-yl)ethanone
CID 116582553
1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea
CID 112831578
(2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide
CID 61474678
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
N-[2-(7-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119322310
N-[3-(benzylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
CID 119310942
N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 11708711
1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296493
N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119313731

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119296484) is N-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCCc1csc2ccccc12)C1CCCN1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is RZFLOTCSBPYZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS.ClH/c18-15(13-5-3-8-16-13)17-9-7-11-10-19-14-6-2-1-4-12(11)14;/h1-2,4,6,10,13,16H,3,5,7-9H2,(H,17,18);1H.
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 310.85 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119296484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).