1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone

C15H17NOS — CID 69201847

IUPAC1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cc3ccccc3s2)C1
InChIInChI=1S/C15H17NOS/c1-15(2)7-8-16(10-15)14(17)13-9-11-5-3-4-6-12(11)18-13/h3-6,9H,7-8,10H2,1-2H3
InChIKeyZTAJKHJEYHCTOW-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.77
Rot. Bonds1

About 1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone

1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone (PubChem CID 69201847) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone
PubChem CID69201847
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCN(C(=O)c2cc3ccccc3s2)C1
InChIInChI=1S/C15H17NOS/c1-15(2)7-8-16(10-15)14(17)13-9-11-5-3-4-6-12(11)18-13/h3-6,9H,7-8,10H2,1-2H3
InChIKeyZTAJKHJEYHCTOW-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-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-2-yl-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403286
1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 43393418
1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 7578142
1-benzothiophen-2-yl(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methanone
CID 25210797
1-benzothiophen-2-yl-[(5R,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97485993
4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide
CID 61407080
2-(1-benzothiophene-2-carbonyl)-N-hydroxy-4,4-dimethyl-3,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-8-carboxamide
CID 58465717
1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 78804876
[(3R)-3-aminopyrrolidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 119409997
1-benzothiophen-2-yl-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 80660821
1-benzothiophen-2-yl-(4-bromo-3-methylpiperidin-1-yl)methanone
CID 114683536
1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251070

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of 1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone (CID 69201847) is 1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone is CC1(C)CCN(C(=O)c2cc3ccccc3s2)C1.
What is the InChIKey of 1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is ZTAJKHJEYHCTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-15(2)7-8-16(10-15)14(17)13-9-11-5-3-4-6-12(11)18-13/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of 1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone?
1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 259.37 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 69201847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).