1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone

C14H15NO3S2 — CID 154738823

IUPAC1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)c2csc3ccccc23)C1
InChIInChI=1S/C14H15NO3S2/c1-20(17,18)10-6-7-15(8-10)14(16)12-9-19-13-5-3-2-4-11(12)13/h2-5,9-10H,6-8H2,1H3
InChIKeyWKWDOLCIDADWPK-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.16
Rot. Bonds2

About 1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone

1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone (PubChem CID 154738823) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
PubChem CID154738823
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Name1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)c2csc3ccccc23)C1
InChIInChI=1S/C14H15NO3S2/c1-20(17,18)10-6-7-15(8-10)14(16)12-9-19-13-5-3-2-4-11(12)13/h2-5,9-10H,6-8H2,1H3
InChIKeyWKWDOLCIDADWPK-UHFFFAOYSA-N
XLogP2.16
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzothiophen-3-yl-[3-(chloromethyl)piperidin-1-yl]methanone
CID 55185518
3-[(3S)-1-(1-benzothiophene-3-carbonyl)piperidin-3-yl]propanoic acid
CID 124700764
azepan-1-yl-[1-(1-benzothiophene-3-carbonyl)piperidin-4-yl]methanone
CID 24643105
1-benzothiophen-3-yl-[2-(bromomethyl)morpholin-4-yl]methanone
CID 81209686
1-benzothiophen-3-yl-(5-hydroxy-3,3-dimethylazepan-1-yl)methanone
CID 126838100
(6S)-4-(1-benzothiophene-3-carbonyl)-6-methylpiperazin-2-one
CID 125144650
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-methylsulfonylpyrrolidin-1-yl]methanone
CID 97414904
1-benzothiophen-3-yl-[4-[3-hydroxypropyl(methyl)amino]piperidin-1-yl]methanone
CID 75433786
1-benzothiophen-3-yl-[3-[(3-hydroxypyrrolidin-1-yl)methyl]piperidin-1-yl]methanone
CID 166435479
1-benzothiophen-3-yl-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 25236632
[(4S,9aR)-4-cyclopropyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(1-benzothiophen-3-yl)methanone
CID 134701680
[(3R)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 97414872

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone?
The IUPAC name of 1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone (CID 154738823) is 1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone?
The canonical SMILES for 1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone is CS(=O)(=O)C1CCN(C(=O)c2csc3ccccc23)C1.
What is the InChIKey of 1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone?
The InChIKey is WKWDOLCIDADWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c1-20(17,18)10-6-7-15(8-10)14(16)12-9-19-13-5-3-2-4-11(12)13/h2-5,9-10H,6-8H2,1H3.
What are the key properties of 1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone?
1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone has a molecular weight of 309.41 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 154738823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).