2,2-dimethyl-1-[(2R)-2-phenylpyrrolidin-1-yl]propane-1-thione

C15H21NS — CID 138963743

IUPAC2,2-dimethyl-1-[(2R)-2-phenylpyrrolidin-1-yl]propane-1-thione
SMILESCC(C)(C)C(=S)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C15H21NS/c1-15(2,3)14(17)16-11-7-10-13(16)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3/t13-/m1/s1
InChIKeySUWOMBAPXCKRKP-CYBMUJFWSA-N
MW247.41 g/mol
LogP4.20
Rot. Bonds1

About 2,2-dimethyl-1-[(2R)-2-phenylpyrrolidin-1-yl]propane-1-thione

2,2-dimethyl-1-[(2R)-2-phenylpyrrolidin-1-yl]propane-1-thione (PubChem CID 138963743) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(2R)-2-phenylpyrrolidin-1-yl]propane-1-thione.

Molecular Properties

Compound Name2,2-dimethyl-1-[(2R)-2-phenylpyrrolidin-1-yl]propane-1-thione
PubChem CID138963743
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name2,2-dimethyl-1-[(2R)-2-phenylpyrrolidin-1-yl]propane-1-thione
SMILESCC(C)(C)C(=S)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C15H21NS/c1-15(2,3)14(17)16-11-7-10-13(16)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3/t13-/m1/s1
InChIKeySUWOMBAPXCKRKP-CYBMUJFWSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-phenyl-1-[(2R)-2-phenylpiperidin-1-yl]propane-1-thione
CID 138963814
2,2-dimethyl-1-[(2R)-2-phenylpiperidin-1-yl]butane-1-thione
CID 138963744
2-methoxy-2-methyl-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 103029058
1-(2-phenylpiperidin-1-yl)ethanethione
CID 150861838
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
(2S)-1-tert-butyl-2-phenylpyrrolidine;(2R)-1-tert-butyl-2-phenylpyrrolidine
CID 163924303
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
1-[1-(1-methylcyclopropyl)ethenyl]-2-phenylpyrrolidine
CID 129194226
2,2-dimethyl-1-(3-phenyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propane-1-thione
CID 122215583
(3-methylpyrrolidin-2-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 102777441
2-methyl-1-(2-phenylpyrrolidin-1-yl)propan-2-ol
CID 110932472
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(2R)-2-phenylpyrrolidin-1-yl]propane-1-thione?
The IUPAC name of 2,2-dimethyl-1-[(2R)-2-phenylpyrrolidin-1-yl]propane-1-thione (CID 138963743) is 2,2-dimethyl-1-[(2R)-2-phenylpyrrolidin-1-yl]propane-1-thione.
What is the SMILES notation for 2,2-dimethyl-1-[(2R)-2-phenylpyrrolidin-1-yl]propane-1-thione?
The canonical SMILES for 2,2-dimethyl-1-[(2R)-2-phenylpyrrolidin-1-yl]propane-1-thione is CC(C)(C)C(=S)N1CCC[C@@H]1c1ccccc1.
What is the InChIKey of 2,2-dimethyl-1-[(2R)-2-phenylpyrrolidin-1-yl]propane-1-thione?
The InChIKey is SUWOMBAPXCKRKP-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NS/c1-15(2,3)14(17)16-11-7-10-13(16)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3/t13-/m1/s1.
What are the key properties of 2,2-dimethyl-1-[(2R)-2-phenylpyrrolidin-1-yl]propane-1-thione?
2,2-dimethyl-1-[(2R)-2-phenylpyrrolidin-1-yl]propane-1-thione has a molecular weight of 247.41 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(2R)-2-phenylpyrrolidin-1-yl]propane-1-thione is sourced from PubChem (CID 138963743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).