[2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone

C17H18N2OS — CID 102541984

IUPAC[2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone
SMILESCSc1ncccc1C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C17H18N2OS/c1-21-16-14(9-5-11-18-16)15-10-6-12-19(15)17(20)13-7-3-2-4-8-13/h2-5,7-9,11,15H,6,10,12H2,1H3
InChIKeyQDSSKEFKDWPJOB-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.78
Rot. Bonds3

About [2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone

[2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone (PubChem CID 102541984) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is [2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone
PubChem CID102541984
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name[2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone
SMILESCSc1ncccc1C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C17H18N2OS/c1-21-16-14(9-5-11-18-16)15-10-6-12-19(15)17(20)13-7-3-2-4-8-13/h2-5,7-9,11,15H,6,10,12H2,1H3
InChIKeyQDSSKEFKDWPJOB-UHFFFAOYSA-N
XLogP3.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone 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

phenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone
CID 102539451
phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone
CID 102541555
phenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone
CID 102540070
[2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone
CID 102540565
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
(2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl)-phenylmethanone
CID 110100074
4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119180829
(2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61294927
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 91763073
phenyl-[(2R)-2-quinolin-6-ylpiperidin-1-yl]methanone
CID 124501089
[2-[6-(dimethylamino)-2-methyl-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102542918
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone (CID 102541984) is [2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone is CSc1ncccc1C1CCCN1C(=O)c1ccccc1.
What is the InChIKey of [2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is QDSSKEFKDWPJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-21-16-14(9-5-11-18-16)15-10-6-12-19(15)17(20)13-7-3-2-4-8-13/h2-5,7-9,11,15H,6,10,12H2,1H3.
What are the key properties of [2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone?
[2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 298.41 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 102541984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).