[(3R)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone

C11H15NO3S2 — CID 97414872

IUPAC[(3R)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)c1
InChIInChI=1S/C11H15NO3S2/c1-8-5-10(16-7-8)11(13)12-4-3-9(6-12)17(2,14)15/h5,7,9H,3-4,6H2,1-2H3/t9-/m1/s1
InChIKeyJUTNFFWWIHGGJW-SECBINFHSA-N
MW273.38 g/mol
LogP1.32
Rot. Bonds2

About [(3R)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone

[(3R)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone (PubChem CID 97414872) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is [(3R)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
PubChem CID97414872
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Name[(3R)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)c1
InChIInChI=1S/C11H15NO3S2/c1-8-5-10(16-7-8)11(13)12-4-3-9(6-12)17(2,14)15/h5,7,9H,3-4,6H2,1-2H3/t9-/m1/s1
InChIKeyJUTNFFWWIHGGJW-SECBINFHSA-N
XLogP1.32
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclohexylsulfonylazetidin-1-yl)-(4-methylthiophen-2-yl)methanone
CID 71809293
(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)-(4-methylthiophen-2-yl)methanone
CID 90590795
(5-chlorothiophen-2-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805511
[3-(methoxymethyl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 52992866
1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 154738823
[(3R)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 100632006
[(3S)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 97414875
(4-chlorophenyl)-[(3S)-3-methylsulfonylpyrrolidin-1-yl]methanone
CID 97414892
(4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125024129
[3,5-bis(trifluoromethyl)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584672
(2,4-dihydroxyphenyl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 57440489
(4-methylthiophen-2-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 124950556

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The IUPAC name of [(3R)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone (CID 97414872) is [(3R)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone.
What is the SMILES notation for [(3R)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The canonical SMILES for [(3R)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone is Cc1csc(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)c1.
What is the InChIKey of [(3R)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The InChIKey is JUTNFFWWIHGGJW-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-8-5-10(16-7-8)11(13)12-4-3-9(6-12)17(2,14)15/h5,7,9H,3-4,6H2,1-2H3/t9-/m1/s1.
What are the key properties of [(3R)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone?
[(3R)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 97414872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).