1-tert-butylsulfonylpyrrolidin-3-ol

C8H17NO3S — CID 63689737

IUPAC1-tert-butylsulfonylpyrrolidin-3-ol
SMILESCC(C)(C)S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C8H17NO3S/c1-8(2,3)13(11,12)9-5-4-7(10)6-9/h7,10H,4-6H2,1-3H3
InChIKeyCURXZVWUOMQGEG-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.18
Rot. Bonds1

About 1-tert-butylsulfonylpyrrolidin-3-ol

1-tert-butylsulfonylpyrrolidin-3-ol (PubChem CID 63689737) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-tert-butylsulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-tert-butylsulfonylpyrrolidin-3-ol
PubChem CID63689737
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name1-tert-butylsulfonylpyrrolidin-3-ol
SMILESCC(C)(C)S(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C8H17NO3S/c1-8(2,3)13(11,12)9-5-4-7(10)6-9/h7,10H,4-6H2,1-3H3
InChIKeyCURXZVWUOMQGEG-UHFFFAOYSA-N
XLogP0.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfonylpyrrolidin-3-ol?
The IUPAC name of 1-tert-butylsulfonylpyrrolidin-3-ol (CID 63689737) is 1-tert-butylsulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-tert-butylsulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-tert-butylsulfonylpyrrolidin-3-ol is CC(C)(C)S(=O)(=O)N1CCC(O)C1.
What is the InChIKey of 1-tert-butylsulfonylpyrrolidin-3-ol?
The InChIKey is CURXZVWUOMQGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-8(2,3)13(11,12)9-5-4-7(10)6-9/h7,10H,4-6H2,1-3H3.
What are the key properties of 1-tert-butylsulfonylpyrrolidin-3-ol?
1-tert-butylsulfonylpyrrolidin-3-ol has a molecular weight of 207.29 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfonylpyrrolidin-3-ol is sourced from PubChem (CID 63689737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).