1-(2-methylsulfanylphenyl)pyrrolidine

C11H15NS — CID 67751478

IUPAC1-(2-methylsulfanylphenyl)pyrrolidine
SMILESCSc1ccccc1N1CCCC1
InChIInChI=1S/C11H15NS/c1-13-11-7-3-2-6-10(11)12-8-4-5-9-12/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyBRZYBBJEPWIPJK-UHFFFAOYSA-N
MW193.32 g/mol
LogP3.01
Rot. Bonds2

About 1-(2-methylsulfanylphenyl)pyrrolidine

1-(2-methylsulfanylphenyl)pyrrolidine (PubChem CID 67751478) has the molecular formula C11H15NS and a molecular weight of 193.32 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)pyrrolidine
PubChem CID67751478
Molecular FormulaC11H15NS
Molecular Weight193.32 g/mol
Exact Mass193.09
IUPAC Name1-(2-methylsulfanylphenyl)pyrrolidine
SMILESCSc1ccccc1N1CCCC1
InChIInChI=1S/C11H15NS/c1-13-11-7-3-2-6-10(11)12-8-4-5-9-12/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyBRZYBBJEPWIPJK-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)pyrrolidine?
The IUPAC name of 1-(2-methylsulfanylphenyl)pyrrolidine (CID 67751478) is 1-(2-methylsulfanylphenyl)pyrrolidine.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)pyrrolidine?
The canonical SMILES for 1-(2-methylsulfanylphenyl)pyrrolidine is CSc1ccccc1N1CCCC1.
What is the InChIKey of 1-(2-methylsulfanylphenyl)pyrrolidine?
The InChIKey is BRZYBBJEPWIPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-13-11-7-3-2-6-10(11)12-8-4-5-9-12/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of 1-(2-methylsulfanylphenyl)pyrrolidine?
1-(2-methylsulfanylphenyl)pyrrolidine has a molecular weight of 193.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)pyrrolidine is sourced from PubChem (CID 67751478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).