4,4-dimethyl-1-methylsulfinylpyrrolidin-3-ol

C7H15NO2S — CID 131165975

IUPAC4,4-dimethyl-1-methylsulfinylpyrrolidin-3-ol
SMILESCS(=O)N1CC(O)C(C)(C)C1
InChIInChI=1S/C7H15NO2S/c1-7(2)5-8(11(3)10)4-6(7)9/h6,9H,4-5H2,1-3H3
InChIKeyYGFNLFDKTBTADD-UHFFFAOYSA-N
MW177.27 g/mol
LogP-0.02
Rot. Bonds1

About 4,4-dimethyl-1-methylsulfinylpyrrolidin-3-ol

4,4-dimethyl-1-methylsulfinylpyrrolidin-3-ol (PubChem CID 131165975) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 4,4-dimethyl-1-methylsulfinylpyrrolidin-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-methylsulfinylpyrrolidin-3-ol
PubChem CID131165975
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name4,4-dimethyl-1-methylsulfinylpyrrolidin-3-ol
SMILESCS(=O)N1CC(O)C(C)(C)C1
InChIInChI=1S/C7H15NO2S/c1-7(2)5-8(11(3)10)4-6(7)9/h6,9H,4-5H2,1-3H3
InChIKeyYGFNLFDKTBTADD-UHFFFAOYSA-N
XLogP-0.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-methylsulfinylpyrrolidin-3-ol?
The IUPAC name of 4,4-dimethyl-1-methylsulfinylpyrrolidin-3-ol (CID 131165975) is 4,4-dimethyl-1-methylsulfinylpyrrolidin-3-ol.
What is the SMILES notation for 4,4-dimethyl-1-methylsulfinylpyrrolidin-3-ol?
The canonical SMILES for 4,4-dimethyl-1-methylsulfinylpyrrolidin-3-ol is CS(=O)N1CC(O)C(C)(C)C1.
What is the InChIKey of 4,4-dimethyl-1-methylsulfinylpyrrolidin-3-ol?
The InChIKey is YGFNLFDKTBTADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7(2)5-8(11(3)10)4-6(7)9/h6,9H,4-5H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-methylsulfinylpyrrolidin-3-ol?
4,4-dimethyl-1-methylsulfinylpyrrolidin-3-ol has a molecular weight of 177.27 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-methylsulfinylpyrrolidin-3-ol is sourced from PubChem (CID 131165975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).