(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone

C10H12ClNOS — CID 128961505

IUPAC(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C10H12ClNOS/c1-7-4-5-12(6-7)10(13)8-2-3-9(11)14-8/h2-3,7H,4-6H2,1H3
InChIKeyYFMHJVFSCQHBAV-UHFFFAOYSA-N
MW229.73 g/mol
LogP2.88
Rot. Bonds1

About (5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone

(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 128961505) has the molecular formula C10H12ClNOS and a molecular weight of 229.73 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID128961505
Molecular FormulaC10H12ClNOS
Molecular Weight229.73 g/mol
Exact Mass229.03
IUPAC Name(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C10H12ClNOS/c1-7-4-5-12(6-7)10(13)8-2-3-9(11)14-8/h2-3,7H,4-6H2,1H3
InChIKeyYFMHJVFSCQHBAV-UHFFFAOYSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 79879754
(5-chlorothiophen-2-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805511
[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 81468886
(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62276124
(5-chlorothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563647
1-(5-chlorothiophene-2-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122119428
(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671594
(5-chlorothiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119542062
(5-chlorothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 25237037
(5-chlorothiophen-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 27233889
1-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 110696424
5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 43414439

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone (CID 128961505) is (5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is YFMHJVFSCQHBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNOS/c1-7-4-5-12(6-7)10(13)8-2-3-9(11)14-8/h2-3,7H,4-6H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone?
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 229.73 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 128961505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).