2-(3,4-dimethylphenyl)sulfanylpyrrolidine

C12H17NS — CID 117032994

IUPAC2-(3,4-dimethylphenyl)sulfanylpyrrolidine
SMILESCc1ccc(SC2CCCN2)cc1C
InChIInChI=1S/C12H17NS/c1-9-5-6-11(8-10(9)2)14-12-4-3-7-13-12/h5-6,8,12-13H,3-4,7H2,1-2H3
InChIKeyMDUJUBPPZGBMNT-UHFFFAOYSA-N
MW207.34 g/mol
LogP3.11
Rot. Bonds2

About 2-(3,4-dimethylphenyl)sulfanylpyrrolidine

2-(3,4-dimethylphenyl)sulfanylpyrrolidine (PubChem CID 117032994) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanylpyrrolidine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanylpyrrolidine
PubChem CID117032994
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name2-(3,4-dimethylphenyl)sulfanylpyrrolidine
SMILESCc1ccc(SC2CCCN2)cc1C
InChIInChI=1S/C12H17NS/c1-9-5-6-11(8-10(9)2)14-12-4-3-7-13-12/h5-6,8,12-13H,3-4,7H2,1-2H3
InChIKeyMDUJUBPPZGBMNT-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methylphenyl)sulfanylpyrrolidine
CID 117033017
3-(3,4-dimethylphenyl)sulfanylmorpholine
CID 117034214
2-(3-fluorophenyl)sulfanylpyrrolidine
CID 105450799
2-(1,3-benzodioxol-5-ylsulfanyl)piperidine
CID 117033048
2-(2,5-dimethoxyphenyl)sulfanylpyrrolidine
CID 117033009
(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 42076609
2-(3,4-dimethylphenyl)sulfanylcycloheptane-1-carbonitrile
CID 43293143
3-(3,4-dimethylphenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide
CID 120574312
2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64649741
2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclooctan-1-amine
CID 64648566
2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64647989
2-[(3,4-dimethylphenyl)methyl]-3-methylpiperidine
CID 106778080

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanylpyrrolidine?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanylpyrrolidine (CID 117032994) is 2-(3,4-dimethylphenyl)sulfanylpyrrolidine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanylpyrrolidine?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanylpyrrolidine is Cc1ccc(SC2CCCN2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanylpyrrolidine?
The InChIKey is MDUJUBPPZGBMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c1-9-5-6-11(8-10(9)2)14-12-4-3-7-13-12/h5-6,8,12-13H,3-4,7H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)sulfanylpyrrolidine?
2-(3,4-dimethylphenyl)sulfanylpyrrolidine has a molecular weight of 207.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanylpyrrolidine is sourced from PubChem (CID 117032994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).