(3R,5R)-3-hydroxy-3,5-dimethylpyrrolidine-2-thione

C6H11NOS — CID 55299995

IUPAC(3R,5R)-3-hydroxy-3,5-dimethylpyrrolidine-2-thione
SMILESC[C@@H]1C[C@@](C)(O)C(=S)N1
InChIInChI=1S/C6H11NOS/c1-4-3-6(2,8)5(9)7-4/h4,8H,3H2,1-2H3,(H,7,9)/t4-,6-/m1/s1
InChIKeyQWLOLJOHXJANIA-INEUFUBQSA-N
MW145.23 g/mol
LogP0.45
Rot. Bonds

About (3R,5R)-3-hydroxy-3,5-dimethylpyrrolidine-2-thione

(3R,5R)-3-hydroxy-3,5-dimethylpyrrolidine-2-thione (PubChem CID 55299995) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is (3R,5R)-3-hydroxy-3,5-dimethylpyrrolidine-2-thione.

Molecular Properties

Compound Name(3R,5R)-3-hydroxy-3,5-dimethylpyrrolidine-2-thione
PubChem CID55299995
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name(3R,5R)-3-hydroxy-3,5-dimethylpyrrolidine-2-thione
SMILESC[C@@H]1C[C@@](C)(O)C(=S)N1
InChIInChI=1S/C6H11NOS/c1-4-3-6(2,8)5(9)7-4/h4,8H,3H2,1-2H3,(H,7,9)/t4-,6-/m1/s1
InChIKeyQWLOLJOHXJANIA-INEUFUBQSA-N
XLogP0.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-6-hydroxy-4,6-dimethyl-1,3-diazinane-2-thione
CID 132595391
(2R,6S)-2,4,6-trimethylpiperidin-4-ol
CID 168826968
(1S,5S)-1-hydroxy-6-azabicyclo[3.2.1]octane-7-thione
CID 130763527
5-methylpyrrolidine-2,4-dithione
CID 137473196
6-methylpiperazine-2-thione
CID 72658874
1,3-dimethyl-6-(methylamino)cycloheptan-1-ol
CID 163998697
(1R,5S,8R)-1,8-dimethyl-3-azabicyclo[3.2.1]octane-2,4-dithione
CID 45098963
(2R)-2-methylbicyclo[2.2.2]octan-2-ol
CID 13329636
2-methylcyclopropane-1,1-diol
CID 68932442
1,3-dimethylbicyclo[4.2.1]nonane
CID 152820213
(1Z)-1,2,3,3,5,8,10,10-octamethylcyclodecene
CID 143700143
2,5-dimethylcyclohexane-1,1-diol
CID 147718738

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-hydroxy-3,5-dimethylpyrrolidine-2-thione?
The IUPAC name of (3R,5R)-3-hydroxy-3,5-dimethylpyrrolidine-2-thione (CID 55299995) is (3R,5R)-3-hydroxy-3,5-dimethylpyrrolidine-2-thione.
What is the SMILES notation for (3R,5R)-3-hydroxy-3,5-dimethylpyrrolidine-2-thione?
The canonical SMILES for (3R,5R)-3-hydroxy-3,5-dimethylpyrrolidine-2-thione is C[C@@H]1C[C@@](C)(O)C(=S)N1.
What is the InChIKey of (3R,5R)-3-hydroxy-3,5-dimethylpyrrolidine-2-thione?
The InChIKey is QWLOLJOHXJANIA-INEUFUBQSA-N. The full InChI is InChI=1S/C6H11NOS/c1-4-3-6(2,8)5(9)7-4/h4,8H,3H2,1-2H3,(H,7,9)/t4-,6-/m1/s1.
What are the key properties of (3R,5R)-3-hydroxy-3,5-dimethylpyrrolidine-2-thione?
(3R,5R)-3-hydroxy-3,5-dimethylpyrrolidine-2-thione has a molecular weight of 145.23 g/mol, XLogP of 0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-hydroxy-3,5-dimethylpyrrolidine-2-thione is sourced from PubChem (CID 55299995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).