(4R,5S)-5-methyl-4-phenyl-1-propan-2-ylpyrrolidine-2-thione

C14H19NS — CID 162062174

IUPAC(4R,5S)-5-methyl-4-phenyl-1-propan-2-ylpyrrolidine-2-thione
SMILESCC(C)N1C(=S)C[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C14H19NS/c1-10(2)15-11(3)13(9-14(15)16)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3/t11-,13-/m0/s1
InChIKeyBXAVSBSGZQTIQN-AAEUAGOBSA-N
MW233.38 g/mol
LogP3.60
Rot. Bonds2

About (4R,5S)-5-methyl-4-phenyl-1-propan-2-ylpyrrolidine-2-thione

(4R,5S)-5-methyl-4-phenyl-1-propan-2-ylpyrrolidine-2-thione (PubChem CID 162062174) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is (4R,5S)-5-methyl-4-phenyl-1-propan-2-ylpyrrolidine-2-thione.

Molecular Properties

Compound Name(4R,5S)-5-methyl-4-phenyl-1-propan-2-ylpyrrolidine-2-thione
PubChem CID162062174
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name(4R,5S)-5-methyl-4-phenyl-1-propan-2-ylpyrrolidine-2-thione
SMILESCC(C)N1C(=S)C[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C14H19NS/c1-10(2)15-11(3)13(9-14(15)16)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3/t11-,13-/m0/s1
InChIKeyBXAVSBSGZQTIQN-AAEUAGOBSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4R,5S)-5-methyl-4-phenyl-1-propan-2-ylpyrrolidine-2-thione 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

5-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one
CID 10536867
2-phenyl-1-propan-2-yl-2,3-dihydroindole
CID 139389323
(2R,3R)-2,3-diphenyl-1-propan-2-ylazetidine
CID 100941434
1,5-dimethyl-4-phenyl-3-propan-2-ylimidazolidin-2-one
CID 20685332
(6R)-1,2,6-trimethyl-3-phenylpiperidine
CID 163219493
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
3-phenyl-1-propan-2-ylazetidine
CID 23628
5-methyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one
CID 175254602
trans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one
CID 100973232
cis-(4S,5R)-4-methyl-5-phenylcyclohexane-1,3-dione
CID 59919081
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
2-phenylcyclopropane-1-carbothioamide
CID 86086576

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-methyl-4-phenyl-1-propan-2-ylpyrrolidine-2-thione?
The IUPAC name of (4R,5S)-5-methyl-4-phenyl-1-propan-2-ylpyrrolidine-2-thione (CID 162062174) is (4R,5S)-5-methyl-4-phenyl-1-propan-2-ylpyrrolidine-2-thione.
What is the SMILES notation for (4R,5S)-5-methyl-4-phenyl-1-propan-2-ylpyrrolidine-2-thione?
The canonical SMILES for (4R,5S)-5-methyl-4-phenyl-1-propan-2-ylpyrrolidine-2-thione is CC(C)N1C(=S)C[C@H](c2ccccc2)[C@@H]1C.
What is the InChIKey of (4R,5S)-5-methyl-4-phenyl-1-propan-2-ylpyrrolidine-2-thione?
The InChIKey is BXAVSBSGZQTIQN-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H19NS/c1-10(2)15-11(3)13(9-14(15)16)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of (4R,5S)-5-methyl-4-phenyl-1-propan-2-ylpyrrolidine-2-thione?
(4R,5S)-5-methyl-4-phenyl-1-propan-2-ylpyrrolidine-2-thione has a molecular weight of 233.38 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-methyl-4-phenyl-1-propan-2-ylpyrrolidine-2-thione is sourced from PubChem (CID 162062174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).