2-(5-chlorothiophen-2-yl)-1-(4-methylpyrrolidin-3-yl)ethanone

C11H14ClNOS — CID 116572587

IUPAC2-(5-chlorothiophen-2-yl)-1-(4-methylpyrrolidin-3-yl)ethanone
SMILESCC1CNCC1C(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C11H14ClNOS/c1-7-5-13-6-9(7)10(14)4-8-2-3-11(12)15-8/h2-3,7,9,13H,4-6H2,1H3
InChIKeyNTSMHDKDHSJOMQ-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.37
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-1-(4-methylpyrrolidin-3-yl)ethanone

2-(5-chlorothiophen-2-yl)-1-(4-methylpyrrolidin-3-yl)ethanone (PubChem CID 116572587) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(4-methylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(4-methylpyrrolidin-3-yl)ethanone
PubChem CID116572587
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(4-methylpyrrolidin-3-yl)ethanone
SMILESCC1CNCC1C(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C11H14ClNOS/c1-7-5-13-6-9(7)10(14)4-8-2-3-11(12)15-8/h2-3,7,9,13H,4-6H2,1H3
InChIKeyNTSMHDKDHSJOMQ-UHFFFAOYSA-N
XLogP2.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 65402113
1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583465
2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572464
1-(3-bicyclo[3.1.0]hexanyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 114967512
2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 116678035
3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120555813
1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116572640
N-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 63714977
2-(5-chlorothiophen-2-yl)-1-(1,4-dithian-2-yl)ethanone
CID 79971128
(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide
CID 106047918
2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572657
2-(5-chlorothiophen-2-yl)-1-piperazin-1-ylethanone
CID 82130418

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4-methylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4-methylpyrrolidin-3-yl)ethanone (CID 116572587) is 2-(5-chlorothiophen-2-yl)-1-(4-methylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(4-methylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(4-methylpyrrolidin-3-yl)ethanone is CC1CNCC1C(=O)Cc1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(4-methylpyrrolidin-3-yl)ethanone?
The InChIKey is NTSMHDKDHSJOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-7-5-13-6-9(7)10(14)4-8-2-3-11(12)15-8/h2-3,7,9,13H,4-6H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(4-methylpyrrolidin-3-yl)ethanone?
2-(5-chlorothiophen-2-yl)-1-(4-methylpyrrolidin-3-yl)ethanone has a molecular weight of 243.76 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(4-methylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 116572587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).