N-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine

C14H22N2S — CID 116951487

IUPACN-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine
SMILESCNC(CC1CCCN1)c1ccc(SC)cc1
InChIInChI=1S/C14H22N2S/c1-15-14(10-12-4-3-9-16-12)11-5-7-13(17-2)8-6-11/h5-8,12,14-16H,3-4,9-10H2,1-2H3
InChIKeyJEFHVGZOLHLCPO-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.81
Rot. Bonds5

About N-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine

N-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine (PubChem CID 116951487) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine
PubChem CID116951487
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine
SMILESCNC(CC1CCCN1)c1ccc(SC)cc1
InChIInChI=1S/C14H22N2S/c1-15-14(10-12-4-3-9-16-12)11-5-7-13(17-2)8-6-11/h5-8,12,14-16H,3-4,9-10H2,1-2H3
InChIKeyJEFHVGZOLHLCPO-UHFFFAOYSA-N
XLogP2.81
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-pyridin-4-yl-2-pyrrolidin-2-ylethanamine
CID 116951509
N-methyl-2-piperidin-2-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 116951649
1-(4-chlorophenyl)-N-methyl-2-piperidin-2-ylethanamine
CID 116951653
1-(4-methylsulfanylphenyl)-2-piperidin-2-ylethanamine
CID 116936276
1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperidin-2-ylethanamine
CID 116951656
N-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine
CID 116951508
1-(3-ethyl-4-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine
CID 116951467
N-methyl-1-(4-methylsulfanylphenyl)but-3-en-1-amine
CID 115815034
3-methylsulfanyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541794
2-[[3-(4-methylsulfanylphenyl)oxetan-3-yl]methyl]pyrrolidine
CID 116871041
1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanamine
CID 116935942
N-methyl-1-(1-methylindol-3-yl)-2-pyrrolidin-2-ylethanamine
CID 116951474

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine?
The IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine (CID 116951487) is N-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine.
What is the SMILES notation for N-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine?
The canonical SMILES for N-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine is CNC(CC1CCCN1)c1ccc(SC)cc1.
What is the InChIKey of N-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine?
The InChIKey is JEFHVGZOLHLCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-15-14(10-12-4-3-9-16-12)11-5-7-13(17-2)8-6-11/h5-8,12,14-16H,3-4,9-10H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine?
N-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine has a molecular weight of 250.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylsulfanylphenyl)-2-pyrrolidin-2-ylethanamine is sourced from PubChem (CID 116951487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).