(3S)-3-(difluoromethoxy)-1-[2-(8-methylsulfanylnaphthalen-1-yl)ethyl]pyrrolidine

C18H21F2NOS — CID 178091359

IUPAC(3S)-3-(difluoromethoxy)-1-[2-(8-methylsulfanylnaphthalen-1-yl)ethyl]pyrrolidine
SMILESCSc1cccc2cccc(CCN3CC[C@H](OC(F)F)C3)c12
InChIInChI=1S/C18H21F2NOS/c1-23-16-7-3-6-13-4-2-5-14(17(13)16)8-10-21-11-9-15(12-21)22-18(19)20/h2-7,15,18H,8-12H2,1H3/t15-/m0/s1
InChIKeyYWYGKRGJMXLIHF-HNNXBMFYSA-N
MW337.44 g/mol
LogP4.42
Rot. Bonds6

About (3S)-3-(difluoromethoxy)-1-[2-(8-methylsulfanylnaphthalen-1-yl)ethyl]pyrrolidine

(3S)-3-(difluoromethoxy)-1-[2-(8-methylsulfanylnaphthalen-1-yl)ethyl]pyrrolidine (PubChem CID 178091359) has the molecular formula C18H21F2NOS and a molecular weight of 337.44 g/mol. Its IUPAC name is (3S)-3-(difluoromethoxy)-1-[2-(8-methylsulfanylnaphthalen-1-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(difluoromethoxy)-1-[2-(8-methylsulfanylnaphthalen-1-yl)ethyl]pyrrolidine
PubChem CID178091359
Molecular FormulaC18H21F2NOS
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC Name(3S)-3-(difluoromethoxy)-1-[2-(8-methylsulfanylnaphthalen-1-yl)ethyl]pyrrolidine
SMILESCSc1cccc2cccc(CCN3CC[C@H](OC(F)F)C3)c12
InChIInChI=1S/C18H21F2NOS/c1-23-16-7-3-6-13-4-2-5-14(17(13)16)8-10-21-11-9-15(12-21)22-18(19)20/h2-7,15,18H,8-12H2,1H3/t15-/m0/s1
InChIKeyYWYGKRGJMXLIHF-HNNXBMFYSA-N
XLogP4.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(difluoromethoxy)-1-[2-(8-methylsulfanylnaphthalen-1-yl)ethyl]pyrrolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(difluoromethoxy)-1-[2-(8-methylsulfanylnaphthalen-1-yl)ethyl]pyrrolidine?
The IUPAC name of (3S)-3-(difluoromethoxy)-1-[2-(8-methylsulfanylnaphthalen-1-yl)ethyl]pyrrolidine (CID 178091359) is (3S)-3-(difluoromethoxy)-1-[2-(8-methylsulfanylnaphthalen-1-yl)ethyl]pyrrolidine.
What is the SMILES notation for (3S)-3-(difluoromethoxy)-1-[2-(8-methylsulfanylnaphthalen-1-yl)ethyl]pyrrolidine?
The canonical SMILES for (3S)-3-(difluoromethoxy)-1-[2-(8-methylsulfanylnaphthalen-1-yl)ethyl]pyrrolidine is CSc1cccc2cccc(CCN3CC[C@H](OC(F)F)C3)c12.
What is the InChIKey of (3S)-3-(difluoromethoxy)-1-[2-(8-methylsulfanylnaphthalen-1-yl)ethyl]pyrrolidine?
The InChIKey is YWYGKRGJMXLIHF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21F2NOS/c1-23-16-7-3-6-13-4-2-5-14(17(13)16)8-10-21-11-9-15(12-21)22-18(19)20/h2-7,15,18H,8-12H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-3-(difluoromethoxy)-1-[2-(8-methylsulfanylnaphthalen-1-yl)ethyl]pyrrolidine?
(3S)-3-(difluoromethoxy)-1-[2-(8-methylsulfanylnaphthalen-1-yl)ethyl]pyrrolidine has a molecular weight of 337.44 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(difluoromethoxy)-1-[2-(8-methylsulfanylnaphthalen-1-yl)ethyl]pyrrolidine is sourced from PubChem (CID 178091359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).