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

C10H12ClNO3S2 — CID 71805511

IUPAC(5-chlorothiophen-2-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C10H12ClNO3S2/c1-17(14,15)7-4-5-12(6-7)10(13)8-2-3-9(11)16-8/h2-3,7H,4-6H2,1H3
InChIKeyLJQFNKVOIQXIHN-UHFFFAOYSA-N
MW293.80 g/mol
LogP1.66
Rot. Bonds2

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

(5-chlorothiophen-2-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone (PubChem CID 71805511) has the molecular formula C10H12ClNO3S2 and a molecular weight of 293.80 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
PubChem CID71805511
Molecular FormulaC10H12ClNO3S2
Molecular Weight293.80 g/mol
Exact Mass292.99
IUPAC Name(5-chlorothiophen-2-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C10H12ClNO3S2/c1-17(14,15)7-4-5-12(6-7)10(13)8-2-3-9(11)16-8/h2-3,7H,4-6H2,1H3
InChIKeyLJQFNKVOIQXIHN-UHFFFAOYSA-N
XLogP1.66
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 81468886
(4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 79879754
(4-chlorophenyl)-[(3S)-3-methylsulfonylpyrrolidin-1-yl]methanone
CID 97414892
(4-aminopiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62276124
(5-chlorothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563647
[(3R)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 97414872
(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
1-[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 110696424
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 114267652
(5-chlorothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 25237037

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone (CID 71805511) is (5-chlorothiophen-2-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone is CS(=O)(=O)C1CCN(C(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone?
The InChIKey is LJQFNKVOIQXIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3S2/c1-17(14,15)7-4-5-12(6-7)10(13)8-2-3-9(11)16-8/h2-3,7H,4-6H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone?
(5-chlorothiophen-2-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone has a molecular weight of 293.80 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 71805511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).