1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine-2,5-diol

C10H21NO2S — CID 163443672

IUPAC1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine-2,5-diol
SMILESCC(C)SC1CC(O)N(C(C)C)C1O
InChIInChI=1S/C10H21NO2S/c1-6(2)11-9(12)5-8(10(11)13)14-7(3)4/h6-10,12-13H,5H2,1-4H3
InChIKeyBARMEHJHDKIWEQ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.25
Rot. Bonds3

About 1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine-2,5-diol

1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine-2,5-diol (PubChem CID 163443672) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine-2,5-diol.

Molecular Properties

Compound Name1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine-2,5-diol
PubChem CID163443672
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine-2,5-diol
SMILESCC(C)SC1CC(O)N(C(C)C)C1O
InChIInChI=1S/C10H21NO2S/c1-6(2)11-9(12)5-8(10(11)13)14-7(3)4/h6-10,12-13H,5H2,1-4H3
InChIKeyBARMEHJHDKIWEQ-UHFFFAOYSA-N
XLogP1.25
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine-2,5-diol?
The IUPAC name of 1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine-2,5-diol (CID 163443672) is 1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine-2,5-diol.
What is the SMILES notation for 1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine-2,5-diol?
The canonical SMILES for 1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine-2,5-diol is CC(C)SC1CC(O)N(C(C)C)C1O.
What is the InChIKey of 1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine-2,5-diol?
The InChIKey is BARMEHJHDKIWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-6(2)11-9(12)5-8(10(11)13)14-7(3)4/h6-10,12-13H,5H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine-2,5-diol?
1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine-2,5-diol has a molecular weight of 219.35 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidine-2,5-diol is sourced from PubChem (CID 163443672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).