2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine

C13H19NS — CID 62769476

IUPAC2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine
SMILESCc1ccccc1CSCC1CCCN1
InChIInChI=1S/C13H19NS/c1-11-5-2-3-6-12(11)9-15-10-13-7-4-8-14-13/h2-3,5-6,13-14H,4,7-10H2,1H3
InChIKeyBFMNXXOIJGJIOS-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.98
Rot. Bonds4

About 2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine

2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine (PubChem CID 62769476) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine
PubChem CID62769476
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine
SMILESCc1ccccc1CSCC1CCCN1
InChIInChI=1S/C13H19NS/c1-11-5-2-3-6-12(11)9-15-10-13-7-4-8-14-13/h2-3,5-6,13-14H,4,7-10H2,1H3
InChIKeyBFMNXXOIJGJIOS-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(pyrrolidin-2-ylmethylsulfanylmethyl)phenol
CID 115071010
(2S)-2-[(2-chlorophenyl)methylsulfanylmethyl]pyrrolidine
CID 103289465
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
2-[(2-bromophenyl)methylsulfanylmethyl]piperidine
CID 115071035
(2S)-2-[(3-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 102820351
2-[(3-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62766072
3-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62769826
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
2-[(4-bromophenyl)methylsulfanylmethyl]pyrrolidine
CID 115071015
2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119260437
2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine
CID 112741759
1-(azepan-2-yl)-N-methyl-N-[(2-methylphenyl)methyl]methanamine
CID 64569172

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine?
The IUPAC name of 2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine (CID 62769476) is 2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine.
What is the SMILES notation for 2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine?
The canonical SMILES for 2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine is Cc1ccccc1CSCC1CCCN1.
What is the InChIKey of 2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine?
The InChIKey is BFMNXXOIJGJIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-11-5-2-3-6-12(11)9-15-10-13-7-4-8-14-13/h2-3,5-6,13-14H,4,7-10H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine?
2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine has a molecular weight of 221.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine is sourced from PubChem (CID 62769476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).