2-(4-methylsulfanylphenyl)pyrrolidin-1-amine

C11H16N2S — CID 83533343

IUPAC2-(4-methylsulfanylphenyl)pyrrolidin-1-amine
SMILESCSc1ccc(C2CCCN2N)cc1
InChIInChI=1S/C11H16N2S/c1-14-10-6-4-9(5-7-10)11-3-2-8-13(11)12/h4-7,11H,2-3,8,12H2,1H3
InChIKeyYJXWFZLUKLIJME-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.42
Rot. Bonds2

About 2-(4-methylsulfanylphenyl)pyrrolidin-1-amine

2-(4-methylsulfanylphenyl)pyrrolidin-1-amine (PubChem CID 83533343) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)pyrrolidin-1-amine
PubChem CID83533343
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-(4-methylsulfanylphenyl)pyrrolidin-1-amine
SMILESCSc1ccc(C2CCCN2N)cc1
InChIInChI=1S/C11H16N2S/c1-14-10-6-4-9(5-7-10)11-3-2-8-13(11)12/h4-7,11H,2-3,8,12H2,1H3
InChIKeyYJXWFZLUKLIJME-UHFFFAOYSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

[4-(Methylsulfanyl)phenyl](pyrrolidin-1-yl)methanethione
CID 7333695
Cambridge id 5257355
CID 763356
{2-Amino-1-[4-(methylsulfanyl)phenyl]ethyl}dimethylamine
CID 43089519
N-methyl-N-[1-(4-methylsulfanylphenyl)-2-phenylethyl]propan-1-amine
CID 135013399
N-methyl-N'-[4-(methylsulfanyl)benzyl]propane-1,3-diamine
CID 1817916
2-(2-Ethylpyrrolidin-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine
CID 60973499
2-(2-Methylpyrrolidin-1-yl)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanamine
CID 60974135
N-ethyl-1-(3-fluoro-4-methylsulfanylphenyl)ethanamine
CID 61024379
N-[1-(3-fluoro-4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 61024515
N-(4-(methylthio)benzyl)-N-(trifluoromethyl)propan-2-amine
CID 71648546
1-[1-[[4-(Difluoromethylsulfanyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 75499032
2-(3-Fluoro-4-methylsulfanylphenyl)pyrrolidine
CID 84053781

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)pyrrolidin-1-amine?
The IUPAC name of 2-(4-methylsulfanylphenyl)pyrrolidin-1-amine (CID 83533343) is 2-(4-methylsulfanylphenyl)pyrrolidin-1-amine.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)pyrrolidin-1-amine?
The canonical SMILES for 2-(4-methylsulfanylphenyl)pyrrolidin-1-amine is CSc1ccc(C2CCCN2N)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)pyrrolidin-1-amine?
The InChIKey is YJXWFZLUKLIJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-14-10-6-4-9(5-7-10)11-3-2-8-13(11)12/h4-7,11H,2-3,8,12H2,1H3.
What are the key properties of 2-(4-methylsulfanylphenyl)pyrrolidin-1-amine?
2-(4-methylsulfanylphenyl)pyrrolidin-1-amine has a molecular weight of 208.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)pyrrolidin-1-amine is sourced from PubChem (CID 83533343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).