N-methyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-amine

C14H22N2S — CID 113282005

IUPACN-methyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-amine
SMILESCNC1CCN(CCSc2ccc(C)cc2)C1
InChIInChI=1S/C14H22N2S/c1-12-3-5-14(6-4-12)17-10-9-16-8-7-13(11-16)15-2/h3-6,13,15H,7-11H2,1-2H3
InChIKeyIZWAEENMPFQGRS-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.38
Rot. Bonds5

About N-methyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-amine

N-methyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-amine (PubChem CID 113282005) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-methyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-amine
PubChem CID113282005
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-methyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-amine
SMILESCNC1CCN(CCSc2ccc(C)cc2)C1
InChIInChI=1S/C14H22N2S/c1-12-3-5-14(6-4-12)17-10-9-16-8-7-13(11-16)15-2/h3-6,13,15H,7-11H2,1-2H3
InChIKeyIZWAEENMPFQGRS-UHFFFAOYSA-N
XLogP2.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-amine (CID 113282005) is N-methyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-amine is CNC1CCN(CCSc2ccc(C)cc2)C1.
What is the InChIKey of N-methyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-amine?
The InChIKey is IZWAEENMPFQGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-12-3-5-14(6-4-12)17-10-9-16-8-7-13(11-16)15-2/h3-6,13,15H,7-11H2,1-2H3.
What are the key properties of N-methyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-amine?
N-methyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-amine has a molecular weight of 250.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-amine is sourced from PubChem (CID 113282005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).