1-(3-methoxyphenyl)pyrrolidine-2-thione

C11H13NOS — CID 14089758

IUPAC1-(3-methoxyphenyl)pyrrolidine-2-thione
SMILESCOc1cccc(N2CCCC2=S)c1
InChIInChI=1S/C11H13NOS/c1-13-10-5-2-4-9(8-10)12-7-3-6-11(12)14/h2,4-5,8H,3,6-7H2,1H3
InChIKeyLVILCODMVFOMHZ-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.62
Rot. Bonds2

About 1-(3-methoxyphenyl)pyrrolidine-2-thione

1-(3-methoxyphenyl)pyrrolidine-2-thione (PubChem CID 14089758) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)pyrrolidine-2-thione.

Molecular Properties

Compound Name1-(3-methoxyphenyl)pyrrolidine-2-thione
PubChem CID14089758
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name1-(3-methoxyphenyl)pyrrolidine-2-thione
SMILESCOc1cccc(N2CCCC2=S)c1
InChIInChI=1S/C11H13NOS/c1-13-10-5-2-4-9(8-10)12-7-3-6-11(12)14/h2,4-5,8H,3,6-7H2,1H3
InChIKeyLVILCODMVFOMHZ-UHFFFAOYSA-N
XLogP2.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)azepane
CID 57276431
2-ethyl-1-(3-methoxyphenyl)-5,6-dihydro-4H-pyrimidine
CID 45095290
1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one
CID 39992148
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
(3S)-3-acetyl-1-(3-methoxyphenyl)piperidin-2-one
CID 125457892
1-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)imidazolidin-2-one
CID 20740841
carbamoyl-[[1-(3-methoxyphenyl)-3,4-dihydro-2H-quinolin-6-yl]methyl]azanium
CID 147153265
1-(3-methoxyphenyl)-4,5-dihydroimidazole-2-carbaldehyde
CID 174908697
1-(3-methoxyphenyl)-3-sulfanylpyrrolidin-2-one
CID 58957147
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
6-(hydroxymethyl)-3-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115009739

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)pyrrolidine-2-thione?
The IUPAC name of 1-(3-methoxyphenyl)pyrrolidine-2-thione (CID 14089758) is 1-(3-methoxyphenyl)pyrrolidine-2-thione.
What is the SMILES notation for 1-(3-methoxyphenyl)pyrrolidine-2-thione?
The canonical SMILES for 1-(3-methoxyphenyl)pyrrolidine-2-thione is COc1cccc(N2CCCC2=S)c1.
What is the InChIKey of 1-(3-methoxyphenyl)pyrrolidine-2-thione?
The InChIKey is LVILCODMVFOMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-13-10-5-2-4-9(8-10)12-7-3-6-11(12)14/h2,4-5,8H,3,6-7H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)pyrrolidine-2-thione?
1-(3-methoxyphenyl)pyrrolidine-2-thione has a molecular weight of 207.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)pyrrolidine-2-thione is sourced from PubChem (CID 14089758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).