[5-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine

C14H22N2OS — CID 117420365

IUPAC[5-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1c(SC)cccc1C1CC(CN)CN1C
InChIInChI=1S/C14H22N2OS/c1-16-9-10(8-15)7-12(16)11-5-4-6-13(18-3)14(11)17-2/h4-6,10,12H,7-9,15H2,1-3H3
InChIKeyRJSSHGIDLKWIDG-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.37
Rot. Bonds4

About [5-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine

[5-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117420365) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is [5-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117420365
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name[5-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1c(SC)cccc1C1CC(CN)CN1C
InChIInChI=1S/C14H22N2OS/c1-16-9-10(8-15)7-12(16)11-5-4-6-13(18-3)14(11)17-2/h4-6,10,12H,7-9,15H2,1-3H3
InChIKeyRJSSHGIDLKWIDG-UHFFFAOYSA-N
XLogP2.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine (CID 117420365) is [5-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine is COc1c(SC)cccc1C1CC(CN)CN1C.
What is the InChIKey of [5-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is RJSSHGIDLKWIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-16-9-10(8-15)7-12(16)11-5-4-6-13(18-3)14(11)17-2/h4-6,10,12H,7-9,15H2,1-3H3.
What are the key properties of [5-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 266.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117420365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).