[6-[(2,6-dichlorophenyl)methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C17H16Cl2N2OS — CID 38081740

IUPAC[6-[(2,6-dichlorophenyl)methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(SCc2c(Cl)cccc2Cl)nc1)N1CCCC1
InChIInChI=1S/C17H16Cl2N2OS/c18-14-4-3-5-15(19)13(14)11-23-16-7-6-12(10-20-16)17(22)21-8-1-2-9-21/h3-7,10H,1-2,8-9,11H2
InChIKeyWXMWBGGNXNMLGK-UHFFFAOYSA-N
MW367.30 g/mol
LogP4.92
Rot. Bonds4

About [6-[(2,6-dichlorophenyl)methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[6-[(2,6-dichlorophenyl)methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 38081740) has the molecular formula C17H16Cl2N2OS and a molecular weight of 367.30 g/mol. Its IUPAC name is [6-[(2,6-dichlorophenyl)methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(2,6-dichlorophenyl)methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID38081740
Molecular FormulaC17H16Cl2N2OS
Molecular Weight367.30 g/mol
Exact Mass366.04
IUPAC Name[6-[(2,6-dichlorophenyl)methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(SCc2c(Cl)cccc2Cl)nc1)N1CCCC1
InChIInChI=1S/C17H16Cl2N2OS/c18-14-4-3-5-15(19)13(14)11-23-16-7-6-12(10-20-16)17(22)21-8-1-2-9-21/h3-7,10H,1-2,8-9,11H2
InChIKeyWXMWBGGNXNMLGK-UHFFFAOYSA-N
XLogP4.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [6-[(2,6-dichlorophenyl)methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone 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-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]ethanone
CID 52559891
[6-[2-(4-chlorophenoxy)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 55535867
[6-[2-(6-methyl-2-pyridinyl)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 166239507
(6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone
CID 142545270
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]ethanone
CID 55539083
N-(4-hydroxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
CID 71898976
N-[2-(4-chlorophenoxy)ethyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
CID 32941899
4-[2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]ethyl]benzonitrile
CID 146107246
[6-[2-(4-fluorophenoxy)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 47021058
[6-[3-(4-methoxyphenoxy)propylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 55578558
6-[(2,6-difluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid
CID 114929992
[6-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 38081729

Frequently Asked Questions

What is the IUPAC name of [6-[(2,6-dichlorophenyl)methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[(2,6-dichlorophenyl)methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 38081740) is [6-[(2,6-dichlorophenyl)methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[(2,6-dichlorophenyl)methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[(2,6-dichlorophenyl)methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(SCc2c(Cl)cccc2Cl)nc1)N1CCCC1.
What is the InChIKey of [6-[(2,6-dichlorophenyl)methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is WXMWBGGNXNMLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2OS/c18-14-4-3-5-15(19)13(14)11-23-16-7-6-12(10-20-16)17(22)21-8-1-2-9-21/h3-7,10H,1-2,8-9,11H2.
What are the key properties of [6-[(2,6-dichlorophenyl)methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[6-[(2,6-dichlorophenyl)methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 367.30 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2,6-dichlorophenyl)methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 38081740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).