3-fluoro-N-thiophen-3-ylpyrrolidine-3-carboxamide;hydrochloride

C9H12ClFN2OS — CID 130643749

IUPAC3-fluoro-N-thiophen-3-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccsc1)C1(F)CCNC1
InChIInChI=1S/C9H11FN2OS.ClH/c10-9(2-3-11-6-9)8(13)12-7-1-4-14-5-7;/h1,4-5,11H,2-3,6H2,(H,12,13);1H
InChIKeyLNAFMGIPOQGAQX-UHFFFAOYSA-N
MW250.73 g/mol
LogP1.81
Rot. Bonds2

About 3-fluoro-N-thiophen-3-ylpyrrolidine-3-carboxamide;hydrochloride

3-fluoro-N-thiophen-3-ylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 130643749) has the molecular formula C9H12ClFN2OS and a molecular weight of 250.73 g/mol. Its IUPAC name is 3-fluoro-N-thiophen-3-ylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-N-thiophen-3-ylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID130643749
Molecular FormulaC9H12ClFN2OS
Molecular Weight250.73 g/mol
Exact Mass250.03
IUPAC Name3-fluoro-N-thiophen-3-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccsc1)C1(F)CCNC1
InChIInChI=1S/C9H11FN2OS.ClH/c10-9(2-3-11-6-9)8(13)12-7-1-4-14-5-7;/h1,4-5,11H,2-3,6H2,(H,12,13);1H
InChIKeyLNAFMGIPOQGAQX-UHFFFAOYSA-N
XLogP1.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-thiophen-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-fluoro-N-thiophen-3-ylpyrrolidine-3-carboxamide;hydrochloride (CID 130643749) is 3-fluoro-N-thiophen-3-ylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-fluoro-N-thiophen-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-fluoro-N-thiophen-3-ylpyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccsc1)C1(F)CCNC1.
What is the InChIKey of 3-fluoro-N-thiophen-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is LNAFMGIPOQGAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2OS.ClH/c10-9(2-3-11-6-9)8(13)12-7-1-4-14-5-7;/h1,4-5,11H,2-3,6H2,(H,12,13);1H.
What are the key properties of 3-fluoro-N-thiophen-3-ylpyrrolidine-3-carboxamide;hydrochloride?
3-fluoro-N-thiophen-3-ylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-thiophen-3-ylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 130643749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).