2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine

C15H23NOS — CID 112741759

IUPAC2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine
SMILESCc1ccccc1CS(=O)CCCC1CCCN1
InChIInChI=1S/C15H23NOS/c1-13-6-2-3-7-14(13)12-18(17)11-5-9-15-8-4-10-16-15/h2-3,6-7,15-16H,4-5,8-12H2,1H3
InChIKeyHKOWYYAKPRKVLT-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.78
Rot. Bonds6

About 2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine

2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine (PubChem CID 112741759) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine
PubChem CID112741759
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine
SMILESCc1ccccc1CS(=O)CCCC1CCCN1
InChIInChI=1S/C15H23NOS/c1-13-6-2-3-7-14(13)12-18(17)11-5-9-15-8-4-10-16-15/h2-3,6-7,15-16H,4-5,8-12H2,1H3
InChIKeyHKOWYYAKPRKVLT-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
2-[2-[(2-methylphenyl)methylsulfinyl]ethyl]cyclopentan-1-amine
CID 79581971
1-(2-methylphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563692
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62769476
2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 62769461
3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one
CID 63172875
2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119260437
3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513702
N-methyl-N-[(2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119681708
N-methyl-2-(2-methylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209429
1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
CID 64569172

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine?
The IUPAC name of 2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine (CID 112741759) is 2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine.
What is the SMILES notation for 2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine?
The canonical SMILES for 2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine is Cc1ccccc1CS(=O)CCCC1CCCN1.
What is the InChIKey of 2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine?
The InChIKey is HKOWYYAKPRKVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-13-6-2-3-7-14(13)12-18(17)11-5-9-15-8-4-10-16-15/h2-3,6-7,15-16H,4-5,8-12H2,1H3.
What are the key properties of 2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine?
2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine has a molecular weight of 265.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine is sourced from PubChem (CID 112741759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).