2-(2,5-dimethoxyphenyl)sulfanylpyrrolidine

C12H17NO2S — CID 117033009

IUPAC2-(2,5-dimethoxyphenyl)sulfanylpyrrolidine
SMILESCOc1ccc(OC)c(SC2CCCN2)c1
InChIInChI=1S/C12H17NO2S/c1-14-9-5-6-10(15-2)11(8-9)16-12-4-3-7-13-12/h5-6,8,12-13H,3-4,7H2,1-2H3
InChIKeyQVOCDNVPJVNAOK-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.51
Rot. Bonds4

About 2-(2,5-dimethoxyphenyl)sulfanylpyrrolidine

2-(2,5-dimethoxyphenyl)sulfanylpyrrolidine (PubChem CID 117033009) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)sulfanylpyrrolidine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)sulfanylpyrrolidine
PubChem CID117033009
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(2,5-dimethoxyphenyl)sulfanylpyrrolidine
SMILESCOc1ccc(OC)c(SC2CCCN2)c1
InChIInChI=1S/C12H17NO2S/c1-14-9-5-6-10(15-2)11(8-9)16-12-4-3-7-13-12/h5-6,8,12-13H,3-4,7H2,1-2H3
InChIKeyQVOCDNVPJVNAOK-UHFFFAOYSA-N
XLogP2.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethoxyphenyl)sulfanylmorpholine
CID 117034229
4-(2,5-dimethoxyphenyl)sulfanylcyclohexan-1-one
CID 117034504
(2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine
CID 82291674
1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol
CID 79559655
2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine
CID 116838944
2-(2,5-dimethoxyphenyl)azetidine
CID 55295985
5-(2,5-dimethoxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61364707
2-(3,4-dimethylphenyl)sulfanylpyrrolidine
CID 117032994
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
(2R)-2-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171195361
1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714214
3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine
CID 117034352

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)sulfanylpyrrolidine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)sulfanylpyrrolidine (CID 117033009) is 2-(2,5-dimethoxyphenyl)sulfanylpyrrolidine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)sulfanylpyrrolidine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)sulfanylpyrrolidine is COc1ccc(OC)c(SC2CCCN2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)sulfanylpyrrolidine?
The InChIKey is QVOCDNVPJVNAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-14-9-5-6-10(15-2)11(8-9)16-12-4-3-7-13-12/h5-6,8,12-13H,3-4,7H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)sulfanylpyrrolidine?
2-(2,5-dimethoxyphenyl)sulfanylpyrrolidine has a molecular weight of 239.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)sulfanylpyrrolidine is sourced from PubChem (CID 117033009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).