(2S)-1-methyl-3-methylsulfanylpyrrolidine-2,5-diol

C6H13NO2S — CID 163573987

IUPAC(2S)-1-methyl-3-methylsulfanylpyrrolidine-2,5-diol
SMILESCSC1CC(O)N(C)[C@H]1O
InChIInChI=1S/C6H13NO2S/c1-7-5(8)3-4(10-2)6(7)9/h4-6,8-9H,3H2,1-2H3/t4?,5?,6-/m0/s1
InChIKeyGBVFBLJGFGLPMZ-WRVKLSGPSA-N
MW163.24 g/mol
LogP-0.31
Rot. Bonds1

About (2S)-1-methyl-3-methylsulfanylpyrrolidine-2,5-diol

(2S)-1-methyl-3-methylsulfanylpyrrolidine-2,5-diol (PubChem CID 163573987) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is (2S)-1-methyl-3-methylsulfanylpyrrolidine-2,5-diol.

Molecular Properties

Compound Name(2S)-1-methyl-3-methylsulfanylpyrrolidine-2,5-diol
PubChem CID163573987
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name(2S)-1-methyl-3-methylsulfanylpyrrolidine-2,5-diol
SMILESCSC1CC(O)N(C)[C@H]1O
InChIInChI=1S/C6H13NO2S/c1-7-5(8)3-4(10-2)6(7)9/h4-6,8-9H,3H2,1-2H3/t4?,5?,6-/m0/s1
InChIKeyGBVFBLJGFGLPMZ-WRVKLSGPSA-N
XLogP-0.31
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-3-methylsulfanylpyrrolidine-2,5-diol?
The IUPAC name of (2S)-1-methyl-3-methylsulfanylpyrrolidine-2,5-diol (CID 163573987) is (2S)-1-methyl-3-methylsulfanylpyrrolidine-2,5-diol.
What is the SMILES notation for (2S)-1-methyl-3-methylsulfanylpyrrolidine-2,5-diol?
The canonical SMILES for (2S)-1-methyl-3-methylsulfanylpyrrolidine-2,5-diol is CSC1CC(O)N(C)[C@H]1O.
What is the InChIKey of (2S)-1-methyl-3-methylsulfanylpyrrolidine-2,5-diol?
The InChIKey is GBVFBLJGFGLPMZ-WRVKLSGPSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-7-5(8)3-4(10-2)6(7)9/h4-6,8-9H,3H2,1-2H3/t4?,5?,6-/m0/s1.
What are the key properties of (2S)-1-methyl-3-methylsulfanylpyrrolidine-2,5-diol?
(2S)-1-methyl-3-methylsulfanylpyrrolidine-2,5-diol has a molecular weight of 163.24 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-3-methylsulfanylpyrrolidine-2,5-diol is sourced from PubChem (CID 163573987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).