5,5-dimethyl-1-methylsulfonylpyrrolidin-3-ol

C7H15NO3S — CID 115269004

IUPAC5,5-dimethyl-1-methylsulfonylpyrrolidin-3-ol
SMILESCC1(C)CC(O)CN1S(C)(=O)=O
InChIInChI=1S/C7H15NO3S/c1-7(2)4-6(9)5-8(7)12(3,10)11/h6,9H,4-5H2,1-3H3
InChIKeyTYCXSVDFHQOAAA-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.21
Rot. Bonds1

About 5,5-dimethyl-1-methylsulfonylpyrrolidin-3-ol

5,5-dimethyl-1-methylsulfonylpyrrolidin-3-ol (PubChem CID 115269004) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 5,5-dimethyl-1-methylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name5,5-dimethyl-1-methylsulfonylpyrrolidin-3-ol
PubChem CID115269004
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name5,5-dimethyl-1-methylsulfonylpyrrolidin-3-ol
SMILESCC1(C)CC(O)CN1S(C)(=O)=O
InChIInChI=1S/C7H15NO3S/c1-7(2)4-6(9)5-8(7)12(3,10)11/h6,9H,4-5H2,1-3H3
InChIKeyTYCXSVDFHQOAAA-UHFFFAOYSA-N
XLogP-0.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-methylsulfonylpyrrolidin-3-ol?
The IUPAC name of 5,5-dimethyl-1-methylsulfonylpyrrolidin-3-ol (CID 115269004) is 5,5-dimethyl-1-methylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for 5,5-dimethyl-1-methylsulfonylpyrrolidin-3-ol?
The canonical SMILES for 5,5-dimethyl-1-methylsulfonylpyrrolidin-3-ol is CC1(C)CC(O)CN1S(C)(=O)=O.
What is the InChIKey of 5,5-dimethyl-1-methylsulfonylpyrrolidin-3-ol?
The InChIKey is TYCXSVDFHQOAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-7(2)4-6(9)5-8(7)12(3,10)11/h6,9H,4-5H2,1-3H3.
What are the key properties of 5,5-dimethyl-1-methylsulfonylpyrrolidin-3-ol?
5,5-dimethyl-1-methylsulfonylpyrrolidin-3-ol has a molecular weight of 193.27 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-methylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 115269004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).