3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride

C11H16Cl2N2OS — CID 119451026

IUPAC3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCl.O=C(CCc1ccc(Cl)s1)NC1CCNC1
InChIInChI=1S/C11H15ClN2OS.ClH/c12-10-3-1-9(16-10)2-4-11(15)14-8-5-6-13-7-8;/h1,3,8,13H,2,4-7H2,(H,14,15);1H
InChIKeyLKGWQVIVJOTMOM-UHFFFAOYSA-N
MW295.24 g/mol
LogP2.23
Rot. Bonds4

About 3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride

3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119451026) has the molecular formula C11H16Cl2N2OS and a molecular weight of 295.24 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119451026
Molecular FormulaC11H16Cl2N2OS
Molecular Weight295.24 g/mol
Exact Mass294.04
IUPAC Name3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCl.O=C(CCc1ccc(Cl)s1)NC1CCNC1
InChIInChI=1S/C11H15ClN2OS.ClH/c12-10-3-1-9(16-10)2-4-11(15)14-8-5-6-13-7-8;/h1,3,8,13H,2,4-7H2,(H,14,15);1H
InChIKeyLKGWQVIVJOTMOM-UHFFFAOYSA-N
XLogP2.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 106042378
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3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
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3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide
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CID 120948373
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N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(5-chlorothiophen-2-yl)propanamide
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2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
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(2S)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]-2-cyclopropylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119451026) is 3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride is Cl.O=C(CCc1ccc(Cl)s1)NC1CCNC1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is LKGWQVIVJOTMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS.ClH/c12-10-3-1-9(16-10)2-4-11(15)14-8-5-6-13-7-8;/h1,3,8,13H,2,4-7H2,(H,14,15);1H.
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 295.24 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119451026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).